data_publication_text _publ_requested_journal Am.Miner. _publ_contact_author_name 'Francesco Pandolfo' _publ_contact_author_email francesco.pandolfo@unipv.it loop_ _publ_author_name _publ_author_address 'Pandolfo, Francesco' 'via Ferrata 1, Pavia (PV) I-27100 ' 'Nestola, Fabrizio' 'via Gradenigo 6, Padova (PD) I-35131' data_jlrg_2 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Al Ca Cr Fe Fe Mg Mn Na O O Si Si Si Ti' _chemical_formula_weight 497.14 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O-2' 0.0080 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si+4' 0.0720 0.0710 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si+2' 0.0720 0.0710 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Al' 'Al+3' 0.0560 0.0520 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe+2' 0.3010 0.8450 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe+3' 0.3010 0.8450 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mg' 'Mg+2' 0.0420 0.0360 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ca' 'Ca+2' 0.2030 0.3060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Na' 'Na+1' 0.0300 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mn' 'Mn+2' 0.2950 0.7290 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ti' 'Ti+4' 0.2480 0.4460 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cr' 'Cr+3' 0.2840 0.6240 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, -y, z+1/2' '-x, -y, -z' '-x-1/2, y, -z-1/2' _cell_length_a 9.5613(4) _cell_length_b 8.7578(4) _cell_length_c 5.2543(2) _cell_angle_alpha 90.00 _cell_angle_beta 106.9535(10) _cell_angle_gamma 90.00 _cell_volume 420.85(3) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.962 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 211 _exptl_absorpt_coefficient_mu 1.186 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71070 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 7859 _diffrn_reflns_av_R_equivalents 0.0164 _diffrn_reflns_av_sigmaI/netI 0.0153 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_theta_min 2.33 _diffrn_reflns_theta_max 37.72 _reflns_number_total 2164 _reflns_number_gt 2068 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0210P)^2^+0.1879P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0088(13) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 2164 _refine_ls_number_parameters 114 _refine_ls_number_restraints 18 _refine_ls_R_factor_all 0.0252 _refine_ls_R_factor_gt 0.0233 _refine_ls_wR_factor_ref 0.0597 _refine_ls_wR_factor_gt 0.0566 _refine_ls_goodness_of_fit_ref 1.175 _refine_ls_restrained_S_all 1.173 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group O11A O 0.36286(6) 0.33887(7) 0.11990(12) 0.00751(10) Uani 0.18 1 d P . . O11B O-2 0.36286(6) 0.33887(7) 0.11990(12) 0.00751(10) Uani 0.82 1 d P . . O12A O 0.36109(6) 0.17821(7) 0.64830(12) 0.00734(10) Uani 0.11 1 d P . . O12B O-2 0.36109(6) 0.17821(7) 0.64830(12) 0.00734(10) Uani 0.89 1 d P . . O21A O 0.61503(7) 0.51010(7) 0.30901(12) 0.00863(10) Uani 0.17 1 d P . . O21B O-2 0.61503(7) 0.51010(7) 0.30901(12) 0.00863(10) Uani 0.83 1 d P . . O22A O 0.60598(7) 0.99774(7) 0.80479(13) 0.00971(11) Uani 0.18 1 d P . . O22B O-2 0.60598(7) 0.99774(7) 0.80479(13) 0.00971(11) Uani 0.82 1 d P . . O31A O 0.60675(6) 0.26646(7) 0.00407(11) 0.00748(10) Uani 0.29 1 d P . . O31B O-2 0.60675(6) 0.26646(7) 0.00407(11) 0.00748(10) Uani 0.71 1 d P . . O32A O 0.59781(6) 0.24041(7) 0.49719(12) 0.00814(11) Uani 0.31 1 d P . . O32B O-2 0.59781(6) 0.24041(7) 0.49719(12) 0.00814(11) Uani 0.69 1 d P . . SiA1 Si 0.53939(2) 0.34783(2) 0.22638(4) 0.00528(6) Uani 0.50 1 d P . . SiA2 Si+4 0.53939(2) 0.34783(2) 0.22638(4) 0.00528(6) Uani 0.50 1 d P . . SiB1 Si+2 0.53731(2) 0.16263(2) 0.73036(4) 0.00510(6) Uani 0.964(2) 1 d P . . AlB Al+3 0.53731(2) 0.16263(2) 0.73036(4) 0.00510(6) Uani 0.036(2) 1 d P . . MgM1 Mg+2 0.2500 0.15953(4) 0.2500 0.00694(11) Uani 0.837(3) 2 d SP . . F2M1 Fe+2 0.2500 0.15953(4) 0.2500 0.00694(11) Uani 0.092(2) 2 d SP . . AlM1 Al+3 0.2500 0.15953(4) 0.2500 0.00694(11) Uani 0.069(4) 2 d SP . . MnM1 Mn+2 0.2500 0.15953(4) 0.2500 0.00694(11) Uani 0.0016(12) 2 d SP . . MM11 Mg+2 0.2500 0.34753(4) 0.7500 0.00582(10) Uani 0.016(3) 2 d SP . . FM11 Fe+2 0.2500 0.34753(4) 0.7500 0.00582(10) Uani 0.020(2) 2 d SP . . AM11 Al+3 0.2500 0.34753(4) 0.7500 0.00582(10) Uani 0.957(4) 2 d SP . . TM11 Ti+4 0.2500 0.34753(4) 0.7500 0.00582(10) Uani 0.0058(12) 2 d SP . . Cr11 Cr+3 0.2500 0.34753(4) 0.7500 0.00582(10) Uani 0.0014(18) 2 d SP . . CaM2 Ca+2 0.2500 0.55220(5) 0.2500 0.01034(12) Uani 0.253(4) 2 d SP . . NaM2 Na+1 0.2500 0.55220(5) 0.2500 0.01034(12) Uani 0.737(3) 2 d SP . . FeM2 Fe+2 0.2500 0.55220(5) 0.2500 0.01034(12) Uani 0.010(2) 2 d SP . . Ca21 Ca+2 0.2500 0.95046(3) 0.7500 0.01079(9) Uani 0.713(4) 2 d SP . . Na21 Na+1 0.2500 0.95046(3) 0.7500 0.01079(9) Uani 0.231(4) 2 d SP . . Mg21 Mg+2 0.2500 0.95046(3) 0.7500 0.01079(9) Uani 0.056(3) 2 d SP . . O000 Si 0.0000 0.0000 0.0000 0.050 Uiso 0.00 2 d SP . . O010 Si 0.0000 1.0000 0.0000 0.050 Uiso 0.00 2 d SP . . O001 Si 0.0000 0.0000 1.0000 0.050 Uiso 0.00 2 d SP . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O11A 0.0056(2) 0.0094(2) 0.0072(2) -0.00024(17) 0.00135(18) 0.00002(17) O11B 0.0056(2) 0.0094(2) 0.0072(2) -0.00024(17) 0.00135(18) 0.00002(17) O12A 0.0049(2) 0.0091(2) 0.0077(2) 0.00004(18) 0.00138(17) 0.00028(17) O12B 0.0049(2) 0.0091(2) 0.0077(2) 0.00004(18) 0.00138(17) 0.00028(17) O21A 0.0098(2) 0.0065(2) 0.0095(2) -0.00073(17) 0.00256(19) -0.00218(18) O21B 0.0098(2) 0.0065(2) 0.0095(2) -0.00073(17) 0.00256(19) -0.00218(18) O22A 0.0118(2) 0.0075(2) 0.0097(3) 0.00117(18) 0.00288(19) 0.00260(18) O22B 0.0118(2) 0.0075(2) 0.0097(3) 0.00117(18) 0.00288(19) 0.00260(18) O31A 0.0060(2) 0.0100(2) 0.0064(2) -0.00203(17) 0.00174(17) 0.00040(17) O31B 0.0060(2) 0.0100(2) 0.0064(2) -0.00203(17) 0.00174(17) 0.00040(17) O32A 0.0073(2) 0.0105(2) 0.0065(2) 0.00264(17) 0.00188(18) -0.00049(17) O32B 0.0073(2) 0.0105(2) 0.0065(2) 0.00264(17) 0.00188(18) -0.00049(17) SiA1 0.00515(9) 0.00562(9) 0.00503(10) 0.00001(6) 0.00142(7) -0.00034(6) SiA2 0.00515(9) 0.00562(9) 0.00503(10) 0.00001(6) 0.00142(7) -0.00034(6) SiB1 0.00464(9) 0.00575(10) 0.00480(10) 0.00043(6) 0.00123(7) 0.00030(6) AlB 0.00464(9) 0.00575(10) 0.00480(10) 0.00043(6) 0.00123(7) 0.00030(6) MgM1 0.00665(16) 0.00768(17) 0.00608(17) 0.000 0.00119(11) 0.000 F2M1 0.00665(16) 0.00768(17) 0.00608(17) 0.000 0.00119(11) 0.000 AlM1 0.00665(16) 0.00768(17) 0.00608(17) 0.000 0.00119(11) 0.000 MnM1 0.00665(16) 0.00768(17) 0.00608(17) 0.000 0.00119(11) 0.000 MM11 0.00534(15) 0.00610(16) 0.00572(17) 0.000 0.00116(11) 0.000 FM11 0.00534(15) 0.00610(16) 0.00572(17) 0.000 0.00116(11) 0.000 AM11 0.00534(15) 0.00610(16) 0.00572(17) 0.000 0.00116(11) 0.000 TM11 0.00534(15) 0.00610(16) 0.00572(17) 0.000 0.00116(11) 0.000 Cr11 0.00534(15) 0.00610(16) 0.00572(17) 0.000 0.00116(11) 0.000 CaM2 0.01192(19) 0.00975(18) 0.00764(19) 0.000 0.00017(12) 0.000 NaM2 0.01192(19) 0.00975(18) 0.00764(19) 0.000 0.00017(12) 0.000 FeM2 0.01192(19) 0.00975(18) 0.00764(19) 0.000 0.00017(12) 0.000 Ca21 0.01425(14) 0.00746(12) 0.00773(13) 0.000 -0.00140(9) 0.000 Na21 0.01425(14) 0.00746(12) 0.00773(13) 0.000 -0.00140(9) 0.000 Mg21 0.01425(14) 0.00746(12) 0.00773(13) 0.000 -0.00140(9) 0.000 _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag O11A SiA1 1.6178(6) . ? O11A Cr11 1.9299(6) 1_554 ? O11A TM11 1.9299(6) 1_554 ? O11A FM11 1.9299(6) 1_554 ? O11A MM11 1.9299(6) 1_554 ? O11A MgM1 2.1281(7) . ? O11A CaM2 2.3564(7) . ? O11A O12B 2.6060(9) 4_656 ? O12A SiB1 1.6185(6) . ? O12A MM11 1.9859(7) . ? O12A MgM1 2.0587(6) . ? O12A Mg21 2.3924(6) 1_545 ? O12A Ca21 2.3924(6) 1_545 ? O12A O11B 2.6060(9) 4_656 ? O21A SiA1 1.5962(6) . ? O21A Cr11 1.8840(6) 3_666 ? O21A TM11 1.8840(6) 3_666 ? O21A FM11 1.8840(6) 3_666 ? O21A MM11 1.8840(6) 3_666 ? O21A FeM2 2.3640(6) 3_666 ? O21A CaM2 2.3640(6) 3_666 ? O21A O32A 2.5842(9) . ? O21A O32A 2.5962(9) ? ? O22A AlB 1.5873(7) 1_565 ? O22A SiB1 1.5873(7) 1_565 ? O22A MnM1 2.0267(7) 3_666 ? O22A F2M1 2.0267(7) 3_666 ? O22A MgM1 2.0267(7) 3_666 ? O22A Mg21 2.3866(7) 3_677 ? O22A Ca21 2.3866(7) 3_677 ? O22A O31B 2.5749(9) 1_566 ? O22A O32B 2.6574(9) 1_565 ? O22A O32A 2.6574(9) 1_565 ? O22A O12B 2.7447(9) 1_565 ? O22A O12B 2.9288(9) 3_666 ? O31A SiA1 1.6510(6) . ? O31A AlB 1.6670(6) 1_554 ? O31A SiB1 1.6670(6) 1_554 ? O31A Mg21 2.4743(7) 3_666 ? O31A Ca21 2.4743(7) 3_666 ? O31A O22B 2.5749(9) 1_544 ? O31A O32A 2.6272(8) . ? O31A O32B 2.6494(8) 1_554 ? O31A O32A 2.6494(8) 1_554 ? O32A O32A 0.0295(12) ? ? O32A SiB1 1.6471(6) . ? O32A SiA1 1.6608(6) . ? O32A FeM2 2.4603(7) 3_666 ? O32A CaM2 2.4603(7) 3_666 ? O32A O31B 2.6494(8) 1_556 ? O32A O31A 2.6494(8) 1_556 ? O32A O22B 2.6574(9) 1_545 ? O32A O22A 2.6574(9) 1_545 ? O32A O22A 2.6670(9) ? ? O32A Mg21 2.7750(6) 3_666 ? O32A Ca21 2.7750(6) 3_666 ? O32A O31B 2.8359(9) 4_756 ? O32A O31A 2.8359(9) 4_756 ? O32A O22B 2.9768(9) 3_666 ? O32A O22A 2.9768(9) 3_666 ? O32A MgM1 3.2755(6) . ? O32A O32B 3.3194(12) 4_757 ? O32A O32A 3.3194(12) 4_757 ? O32A O21B 3.3407(9) 3_666 ? O32A O21A 3.3407(9) 3_666 ? O32A AlB 3.4310(6) 4_757 ? O32A SiB1 3.4310(6) 4_757 ? O32A O22B 3.4500(9) 4_747 ? O32A O22A 3.4500(9) 4_747 ? O32A O12A 3.7888(9) 3_656 ? O32A O12B 3.7888(9) 3_656 ? O32A AlB 3.8285(7) 3_656 ? O32A SiB1 3.8285(7) 3_656 ? O32A MnM1 3.8760(7) 3_656 ? O32A AlM1 3.8760(7) 3_656 ? O32A F2M1 3.8760(7) 3_656 ? O32A MgM1 3.8760(7) 3_656 ? O32A AlB 3.9590(7) 1_554 ? O32A SiB1 3.9590(7) 1_554 ? O32A MM11 4.0348(6) . ? SiA1 O32A 1.6833(6) ? ? SiA1 CaM2 3.0265(3) 3_666 ? SiA1 O21B 3.0363(7) 3_665 ? SiA1 Cr11 3.1436(2) 1_554 ? SiB1 O22B 1.5873(7) 1_545 ? SiB1 O22A 1.5873(7) 1_545 ? SiB1 O32A 1.6222(8) ? ? SiB1 O31B 1.6670(6) 1_556 ? SiB1 O31A 1.6670(6) 1_556 ? SiB1 Mg21 3.0550(3) 3_667 ? SiB1 Ca21 3.0550(3) 3_667 ? SiB1 SiA2 3.0649(3) 1_556 ? MgM1 O22B 2.0267(7) 2_464 ? MgM1 O22A 2.0267(7) 2_464 ? MgM1 O22B 2.0267(7) 3_666 ? MgM1 O22A 2.0267(7) 3_666 ? MgM1 O12B 2.0587(6) 4_656 ? MgM1 O12A 2.0587(6) 4_656 ? MgM1 O11B 2.1281(7) 4_656 ? MgM1 O11A 2.1281(7) 4_656 ? MM11 O21B 1.8840(6) 3_666 ? MM11 O21A 1.8840(6) 3_666 ? MM11 O21B 1.8840(6) 2_465 ? MM11 O21A 1.8840(6) 2_465 ? MM11 O11B 1.9299(6) 4_656 ? MM11 O11A 1.9299(6) 4_656 ? MM11 O11B 1.9299(6) 1_556 ? MM11 O11A 1.9299(6) 1_556 ? MM11 O12B 1.9859(7) 4_657 ? MM11 O12A 1.9859(7) 4_657 ? CaM2 O11B 2.3564(7) 4_656 ? CaM2 O11A 2.3564(7) 4_656 ? CaM2 O21B 2.3640(6) 2_464 ? CaM2 O21A 2.3640(6) 2_464 ? CaM2 O21B 2.3640(6) 3_666 ? CaM2 O21A 2.3640(6) 3_666 ? CaM2 O32B 2.4603(7) 3_666 ? CaM2 O32A 2.4603(7) 3_666 ? CaM2 O32B 2.4603(7) 2_464 ? CaM2 O32A 2.4603(7) 2_464 ? CaM2 O31B 2.6919(7) 2_465 ? CaM2 O31A 2.6919(7) 2_465 ? CaM2 O31B 2.6919(7) 3_665 ? CaM2 O31A 2.6919(7) 3_665 ? CaM2 SiA2 3.0265(3) 3_666 ? CaM2 SiA1 3.0265(3) 3_666 ? CaM2 SiA2 3.0265(3) 2_464 ? CaM2 SiA1 3.0265(3) 2_464 ? CaM2 Cr11 3.1804(3) 1_554 ? CaM2 TM11 3.1804(3) 1_554 ? CaM2 AM11 3.1804(3) 1_554 ? CaM2 FM11 3.1804(3) 1_554 ? CaM2 MM11 3.1804(3) 1_554 ? CaM2 AlB 3.2032(4) 3_666 ? CaM2 SiB1 3.2032(4) 3_666 ? CaM2 AlB 3.2032(4) 2_464 ? CaM2 SiB1 3.2032(4) 2_464 ? CaM2 SiA2 3.3280(3) 4_656 ? CaM2 SiA1 3.3280(3) 4_656 ? CaM2 O21B 3.4325(6) 4_656 ? CaM2 O21A 3.4325(6) 4_656 ? CaM2 O21A 3.5778(6) 3_665 ? CaM2 O21B 3.5778(6) 3_665 ? CaM2 O21A 3.5778(6) 2_465 ? CaM2 O21B 3.5778(6) 2_465 ? Ca21 O22B 2.3866(7) 3_677 ? Ca21 O22A 2.3866(7) 3_677 ? Ca21 O22B 2.3866(7) 2_474 ? Ca21 O22A 2.3866(7) 2_474 ? Ca21 O12B 2.3924(7) 1_565 ? Ca21 O12A 2.3924(7) 1_565 ? Ca21 O12B 2.3924(6) 4_667 ? Ca21 O12A 2.3924(6) 4_667 ? Ca21 O31B 2.4743(7) 2_465 ? Ca21 O31A 2.4743(7) 2_465 ? Ca21 O31B 2.4743(7) 3_666 ? Ca21 O31A 2.4743(7) 3_666 ? Ca21 O32B 2.7750(6) 2_465 ? Ca21 O32A 2.7750(6) 2_465 ? Ca21 O32B 2.7750(6) 3_666 ? Ca21 O32A 2.7750(6) 3_666 ? Ca21 AlB 3.0550(3) 2_464 ? Ca21 SiB1 3.0550(3) 2_464 ? Ca21 AlB 3.0550(3) 3_667 ? Ca21 SiB1 3.0550(3) 3_667 ? Ca21 MnM1 3.2023(3) 1_566 ? Ca21 AlM1 3.2023(3) 1_566 ? Ca21 F2M1 3.2023(3) 1_566 ? Ca21 MgM1 3.2023(3) 1_566 ? Ca21 MnM1 3.2023(3) 1_565 ? Ca21 AlM1 3.2023(3) 1_565 ? Ca21 F2M1 3.2023(3) 1_565 ? Ca21 MgM1 3.2023(3) 1_565 ? Ca21 SiA2 3.2786(3) 2_465 ? Ca21 SiA1 3.2786(3) 2_465 ? Ca21 SiA2 3.2786(3) 3_666 ? Ca21 SiA1 3.2786(3) 3_666 ? Ca21 AlB 3.3430(3) 1_565 ? Ca21 SiB1 3.3430(3) 1_565 ? Ca21 AlB 3.3430(3) 4_667 ? Ca21 SiB1 3.3430(3) 4_667 ? Ca21 O22B 3.3567(7) 4_657 ? Ca21 O22A 3.3567(7) 4_657 ? Ca21 Cr11 3.4775(5) 1_565 ? Ca21 TM11 3.4775(5) 1_565 ? Ca21 AM11 3.4775(5) 1_565 ? Ca21 FM11 3.4775(5) 1_565 ? Ca21 MM11 3.4775(5) 1_565 ? Ca21 O22A 3.5973(7) 2_475 ? Ca21 O22B 3.5973(7) 2_475 ? Ca21 O22B 3.5973(6) 3_676 ? Ca21 O22A 3.5973(6) 3_676 ? Ca21 AlB 3.8053(3) 3_666 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag SiA1 O11A Cr11 124.54(4) . 1_554 ? SiA1 O11A TM11 124.54(4) . 1_554 ? Cr11 O11A TM11 0.00(2) 1_554 1_554 ? SiA1 O11A FM11 124.54(4) . 1_554 ? Cr11 O11A FM11 0.00(2) 1_554 1_554 ? TM11 O11A FM11 0.00(2) 1_554 1_554 ? SiA1 O11A MM11 124.54(4) . 1_554 ? Cr11 O11A MM11 0.00(2) 1_554 1_554 ? TM11 O11A MM11 0.00(2) 1_554 1_554 ? FM11 O11A MM11 0.00(2) 1_554 1_554 ? SiA1 O11A MgM1 120.02(3) . . ? Cr11 O11A MgM1 99.53(3) 1_554 . ? TM11 O11A MgM1 99.53(3) 1_554 . ? FM11 O11A MgM1 99.53(3) 1_554 . ? MM11 O11A MgM1 99.53(3) 1_554 . ? SiA1 O11A CaM2 112.40(3) . . ? Cr11 O11A CaM2 95.29(3) 1_554 . ? TM11 O11A CaM2 95.29(3) 1_554 . ? FM11 O11A CaM2 95.29(3) 1_554 . ? MM11 O11A CaM2 95.29(3) 1_554 . ? MgM1 O11A CaM2 100.02(3) . . ? SiA1 O11A O12B 145.40(4) . 4_656 ? Cr11 O11A O12B 49.21(2) 1_554 4_656 ? TM11 O11A O12B 49.21(2) 1_554 4_656 ? FM11 O11A O12B 49.21(2) 1_554 4_656 ? MM11 O11A O12B 49.21(2) 1_554 4_656 ? MgM1 O11A O12B 50.322(18) . 4_656 ? CaM2 O11A O12B 102.20(3) . 4_656 ? SiB1 O12A MM11 126.03(4) . . ? SiB1 O12A MgM1 116.91(3) . . ? MM11 O12A MgM1 100.08(3) . . ? SiB1 O12A Mg21 111.45(3) . 1_545 ? MM11 O12A Mg21 104.79(3) . 1_545 ? MgM1 O12A Mg21 91.71(2) . 1_545 ? SiB1 O12A Ca21 111.45(3) . 1_545 ? MM11 O12A Ca21 104.79(3) . 1_545 ? MgM1 O12A Ca21 91.71(2) . 1_545 ? Mg21 O12A Ca21 0.000(7) 1_545 1_545 ? SiB1 O12A O11B 144.78(4) . 4_656 ? MM11 O12A O11B 47.366(18) . 4_656 ? MgM1 O12A O11B 52.71(2) . 4_656 ? Mg21 O12A O11B 102.86(3) 1_545 4_656 ? Ca21 O12A O11B 102.86(3) 1_545 4_656 ? SiA1 O21A Cr11 145.30(4) . 3_666 ? SiA1 O21A TM11 145.30(4) . 3_666 ? Cr11 O21A TM11 0.000(15) 3_666 3_666 ? SiA1 O21A FM11 145.30(4) . 3_666 ? Cr11 O21A FM11 0.000(15) 3_666 3_666 ? TM11 O21A FM11 0.000(15) 3_666 3_666 ? SiA1 O21A MM11 145.30(4) . 3_666 ? Cr11 O21A MM11 0.000(15) 3_666 3_666 ? TM11 O21A MM11 0.000(15) 3_666 3_666 ? FM11 O21A MM11 0.000(15) 3_666 3_666 ? SiA1 O21A FeM2 97.80(3) . 3_666 ? Cr11 O21A FeM2 96.30(3) 3_666 3_666 ? TM11 O21A FeM2 96.30(3) 3_666 3_666 ? FM11 O21A FeM2 96.30(3) 3_666 3_666 ? MM11 O21A FeM2 96.30(3) 3_666 3_666 ? SiA1 O21A CaM2 97.80(3) . 3_666 ? Cr11 O21A CaM2 96.30(3) 3_666 3_666 ? TM11 O21A CaM2 96.30(3) 3_666 3_666 ? FM11 O21A CaM2 96.30(3) 3_666 3_666 ? MM11 O21A CaM2 96.30(3) 3_666 3_666 ? FeM2 O21A CaM2 0.000(19) 3_666 3_666 ? SiA1 O21A O32A 38.37(2) . . ? Cr11 O21A O32A 142.27(3) 3_666 . ? TM11 O21A O32A 142.27(3) 3_666 . ? FM11 O21A O32A 142.27(3) 3_666 . ? MM11 O21A O32A 142.27(3) 3_666 . ? FeM2 O21A O32A 59.43(2) 3_666 . ? CaM2 O21A O32A 59.43(2) 3_666 . ? SiA1 O21A O32A 38.85(2) . ? ? Cr11 O21A O32A 142.32(3) 3_666 ? ? TM11 O21A O32A 142.32(3) 3_666 ? ? FM11 O21A O32A 142.32(3) 3_666 ? ? MM11 O21A O32A 142.32(3) 3_666 ? ? FeM2 O21A O32A 58.968(19) 3_666 ? ? CaM2 O21A O32A 58.968(19) 3_666 ? ? O32A O21A O32A 0.60(2) . ? ? AlB O22A SiB1 0.000(16) 1_565 1_565 ? AlB O22A MnM1 146.37(4) 1_565 3_666 ? SiB1 O22A MnM1 146.37(4) 1_565 3_666 ? AlB O22A F2M1 146.37(4) 1_565 3_666 ? SiB1 O22A F2M1 146.37(4) 1_565 3_666 ? MnM1 O22A F2M1 0.000(15) 3_666 3_666 ? AlB O22A MgM1 146.37(4) 1_565 3_666 ? SiB1 O22A MgM1 146.37(4) 1_565 3_666 ? MnM1 O22A MgM1 0.000(15) 3_666 3_666 ? F2M1 O22A MgM1 0.000(15) 3_666 3_666 ? AlB O22A Mg21 98.48(3) 1_565 3_677 ? SiB1 O22A Mg21 98.48(3) 1_565 3_677 ? MnM1 O22A Mg21 92.68(2) 3_666 3_677 ? F2M1 O22A Mg21 92.68(2) 3_666 3_677 ? MgM1 O22A Mg21 92.68(2) 3_666 3_677 ? AlB O22A Ca21 98.48(3) 1_565 3_677 ? SiB1 O22A Ca21 98.48(3) 1_565 3_677 ? MnM1 O22A Ca21 92.68(2) 3_666 3_677 ? F2M1 O22A Ca21 92.68(2) 3_666 3_677 ? MgM1 O22A Ca21 92.68(2) 3_666 3_677 ? Mg21 O22A Ca21 0.0 3_677 3_677 ? AlB O22A O31B 38.80(2) 1_565 1_566 ? SiB1 O22A O31B 38.80(2) 1_565 1_566 ? MnM1 O22A O31B 139.23(3) 3_666 1_566 ? F2M1 O22A O31B 139.23(3) 3_666 1_566 ? MgM1 O22A O31B 139.23(3) 3_666 1_566 ? Mg21 O22A O31B 59.68(2) 3_677 1_566 ? Ca21 O22A O31B 59.68(2) 3_677 1_566 ? AlB O22A O32B 35.50(2) 1_565 1_565 ? SiB1 O22A O32B 35.50(2) 1_565 1_565 ? MnM1 O22A O32B 110.97(3) 3_666 1_565 ? F2M1 O22A O32B 110.97(3) 3_666 1_565 ? MgM1 O22A O32B 110.97(3) 3_666 1_565 ? Mg21 O22A O32B 110.51(3) 3_677 1_565 ? Ca21 O22A O32B 110.51(3) 3_677 1_565 ? O31B O22A O32B 60.82(2) 1_566 1_565 ? AlB O22A O32A 35.50(2) 1_565 1_565 ? SiB1 O22A O32A 35.50(2) 1_565 1_565 ? MnM1 O22A O32A 110.97(3) 3_666 1_565 ? F2M1 O22A O32A 110.97(3) 3_666 1_565 ? MgM1 O22A O32A 110.97(3) 3_666 1_565 ? Mg21 O22A O32A 110.51(3) 3_677 1_565 ? Ca21 O22A O32A 110.51(3) 3_677 1_565 ? O31B O22A O32A 60.82(2) 1_566 1_565 ? O32B O22A O32A 0.000(16) 1_565 1_565 ? AlB O22A O12B 31.45(2) 1_565 1_565 ? SiB1 O22A O12B 31.45(2) 1_565 1_565 ? MnM1 O22A O12B 154.74(3) 3_666 1_565 ? F2M1 O22A O12B 154.74(3) 3_666 1_565 ? MgM1 O22A O12B 154.74(3) 3_666 1_565 ? Mg21 O22A O12B 112.47(3) 3_677 1_565 ? Ca21 O22A O12B 112.47(3) 3_677 1_565 ? O31B O22A O12B 59.77(2) 1_566 1_565 ? O32B O22A O12B 59.07(2) 1_565 1_565 ? O32A O22A O12B 59.07(2) 1_565 1_565 ? AlB O22A O12B 114.40(3) 1_565 3_666 ? SiB1 O22A O12B 114.40(3) 1_565 3_666 ? MnM1 O22A O12B 44.639(17) 3_666 3_666 ? F2M1 O22A O12B 44.639(17) 3_666 3_666 ? MgM1 O22A O12B 44.639(17) 3_666 3_666 ? Mg21 O22A O12B 136.78(3) 3_677 3_666 ? Ca21 O22A O12B 136.78(3) 3_677 3_666 ? O31B O22A O12B 145.40(3) 1_566 3_666 ? O32B O22A O12B 85.27(3) 1_565 3_666 ? O32A O22A O12B 85.27(3) 1_565 3_666 ? O12B O22A O12B 110.12(3) 1_565 3_666 ? SiA1 O31A AlB 134.94(4) . 1_554 ? SiA1 O31A SiB1 134.94(4) . 1_554 ? AlB O31A SiB1 0.00(3) 1_554 1_554 ? SiA1 O31A Mg21 103.45(3) . 3_666 ? AlB O31A Mg21 93.00(3) 1_554 3_666 ? SiB1 O31A Mg21 93.00(3) 1_554 3_666 ? SiA1 O31A Ca21 103.45(3) . 3_666 ? AlB O31A Ca21 93.00(3) 1_554 3_666 ? SiB1 O31A Ca21 93.00(3) 1_554 3_666 ? Mg21 O31A Ca21 0.000(8) 3_666 3_666 ? SiA1 O31A O22B 136.61(4) . 1_544 ? AlB O31A O22B 36.63(2) 1_554 1_544 ? SiB1 O31A O22B 36.63(2) 1_554 1_544 ? Mg21 O31A O22B 56.37(2) 3_666 1_544 ? Ca21 O31A O22B 56.37(2) 3_666 1_544 ? SiA1 O31A O32A 37.64(2) . . ? AlB O31A O32A 133.17(4) 1_554 . ? SiB1 O31A O32A 133.17(4) 1_554 . ? Mg21 O31A O32A 65.83(2) 3_666 . ? Ca21 O31A O32A 65.83(2) 3_666 . ? O22B O31A O32A 108.94(3) 1_544 . ? SiA1 O31A O32B 147.51(4) . 1_554 ? AlB O31A O32B 36.664(19) 1_554 1_554 ? SiB1 O31A O32B 36.664(19) 1_554 1_554 ? Mg21 O31A O32B 108.03(3) 3_666 1_554 ? Ca21 O31A O32B 108.03(3) 3_666 1_554 ? O22B O31A O32B 61.13(2) 1_544 1_554 ? O32A O31A O32B 169.46(4) . 1_554 ? SiA1 O31A O32A 147.51(4) . 1_554 ? AlB O31A O32A 36.664(19) 1_554 1_554 ? SiB1 O31A O32A 36.664(19) 1_554 1_554 ? Mg21 O31A O32A 108.03(3) 3_666 1_554 ? Ca21 O31A O32A 108.03(3) 3_666 1_554 ? O22B O31A O32A 61.13(2) 1_544 1_554 ? O32A O31A O32A 169.46(4) . 1_554 ? O32B O31A O32A 0.00(2) 1_554 1_554 ? O32A O32A SiB1 32.20(3) ? . ? O32A O32A SiA1 139.35(3) ? . ? SiB1 O32A SiA1 140.20(4) . . ? O32A O32A FeM2 68.443(17) ? 3_666 ? SiB1 O32A FeM2 100.63(3) . 3_666 ? SiA1 O32A FeM2 92.44(3) . 3_666 ? O32A O32A CaM2 68.443(17) ? 3_666 ? SiB1 O32A CaM2 100.63(3) . 3_666 ? SiA1 O32A CaM2 92.44(3) . 3_666 ? FeM2 O32A CaM2 0.000(13) 3_666 3_666 ? O32A O32A O21A 113.65(2) ? . ? SiB1 O32A O21A 137.56(4) . . ? SiA1 O32A O21A 36.63(2) . . ? FeM2 O32A O21A 55.82(2) 3_666 . ? CaM2 O32A O21A 55.82(2) 3_666 . ? O32A O32A O31A 174.71(2) ? . ? SiB1 O32A O31A 152.75(4) . . ? SiA1 O32A O31A 37.38(2) . . ? FeM2 O32A O31A 106.51(3) 3_666 . ? CaM2 O32A O31A 106.51(3) 3_666 . ? O21A O32A O31A 61.27(2) . . ? O32A O32A O31B 5.25(2) ? 1_556 ? SiB1 O32A O31B 37.18(2) . 1_556 ? SiA1 O32A O31B 135.78(4) . 1_556 ? FeM2 O32A O31B 63.45(2) 3_666 1_556 ? CaM2 O32A O31B 63.45(2) 3_666 1_556 ? O21A O32A O31B 108.60(3) . 1_556 ? O31A O32A O31B 169.46(4) . 1_556 ? O32A O32A O31A 5.25(2) ? 1_556 ? SiB1 O32A O31A 37.18(2) . 1_556 ? SiA1 O32A O31A 135.78(4) . 1_556 ? FeM2 O32A O31A 63.45(2) 3_666 1_556 ? CaM2 O32A O31A 63.45(2) 3_666 1_556 ? O21A O32A O31A 108.60(3) . 1_556 ? O31A O32A O31A 169.46(4) . 1_556 ? O31B O32A O31A 0.00(2) 1_556 1_556 ? O32A O32A O22B 53.16(2) ? 1_545 ? SiB1 O32A O22B 34.03(2) . 1_545 ? SiA1 O32A O22B 156.50(4) . 1_545 ? FeM2 O32A O22B 110.74(3) 3_666 1_545 ? CaM2 O32A O22B 110.74(3) 3_666 1_545 ? O21A O32A O22B 165.89(3) . 1_545 ? O31A O32A O22B 131.73(3) . 1_545 ? O31B O32A O22B 58.05(2) 1_556 1_545 ? O31A O32A O22B 58.05(2) 1_556 1_545 ? O32A O32A O22A 53.16(2) ? 1_545 ? SiB1 O32A O22A 34.03(2) . 1_545 ? SiA1 O32A O22A 156.50(4) . 1_545 ? FeM2 O32A O22A 110.74(3) 3_666 1_545 ? CaM2 O32A O22A 110.74(3) 3_666 1_545 ? O21A O32A O22A 165.89(3) . 1_545 ? O31A O32A O22A 131.73(3) . 1_545 ? O31B O32A O22A 58.05(2) 1_556 1_545 ? O31A O32A O22A 58.05(2) 1_556 1_545 ? O22B O32A O22A 0.00(3) 1_545 1_545 ? O32A O32A O12A 56.92(3) ? . ? SiB1 O32A O12A 34.979(19) . . ? SiA1 O32A O12A 105.57(3) . . ? FeM2 O32A O12A 114.22(3) 3_666 . ? CaM2 O32A O12A 114.22(3) 3_666 . ? O21A O32A O12A 117.09(3) . . ? O31A O32A O12A 125.91(3) . . ? O31B O32A O12A 59.95(2) 1_556 . ? O31A O32A O12A 59.95(2) 1_556 . ? O22B O32A O12A 62.10(2) 1_545 . ? O22A O32A O12A 62.10(2) 1_545 . ? O32A O32A O22A 127.12(2) ? ? ? SiB1 O32A O22A 100.98(3) . ? ? SiA1 O32A O22A 90.15(3) . ? ? FeM2 O32A O22A 142.58(3) 3_666 ? ? CaM2 O32A O22A 142.58(3) 3_666 ? ? O21A O32A O22A 118.98(3) . ? ? O31A O32A O22A 57.82(2) . ? ? O31B O32A O22A 131.97(3) 1_556 ? ? O31A O32A O22A 131.97(3) 1_556 ? ? O22B O32A O22A 73.96(3) 1_545 ? ? O22A O32A O22A 73.96(3) 1_545 ? ? O12A O32A O22A 100.90(3) . ? ? O32A O32A O11A 119.82(3) ? . ? SiB1 O32A O11A 106.50(3) . . ? SiA1 O32A O11A 34.98(2) . . ? FeM2 O32A O11A 113.56(3) 3_666 . ? CaM2 O32A O11A 113.56(3) 3_666 . ? O21A O32A O11A 63.53(2) . . ? O31A O32A O11A 60.12(2) . . ? O31B O32A O11A 119.49(3) 1_556 . ? O31A O32A O11A 119.49(3) 1_556 . ? O22B O32A O11A 125.40(3) 1_545 . ? O22A O32A O11A 125.40(3) 1_545 . ? O12A O32A O11A 71.53(2) . . ? O22A O32A O11A 88.85(2) ? . ? O32A O32A Mg21 128.386(17) ? 3_666 ? SiB1 O32A Mg21 116.41(3) . 3_666 ? SiA1 O32A Mg21 91.80(3) . 3_666 ? FeM2 O32A Mg21 112.90(2) 3_666 3_666 ? CaM2 O32A Mg21 112.90(2) 3_666 3_666 ? O21A O32A Mg21 105.72(2) . 3_666 ? O31A O32A Mg21 54.435(18) . 3_666 ? O31B O32A Mg21 130.90(3) 1_556 3_666 ? O31A O32A Mg21 130.90(3) 1_556 3_666 ? O22B O32A Mg21 82.90(2) 1_545 3_666 ? O22A O32A Mg21 82.90(2) 1_545 3_666 ? O12A O32A Mg21 128.56(3) . 3_666 ? O22A O32A Mg21 29.682(17) ? 3_666 ? O11A O32A Mg21 106.84(2) . 3_666 ? O32A O32A Ca21 128.386(17) ? 3_666 ? SiB1 O32A Ca21 116.41(3) . 3_666 ? SiA1 O32A Ca21 91.80(3) . 3_666 ? FeM2 O32A Ca21 112.90(2) 3_666 3_666 ? CaM2 O32A Ca21 112.90(2) 3_666 3_666 ? O21A O32A Ca21 105.72(2) . 3_666 ? O31A O32A Ca21 54.435(18) . 3_666 ? O31B O32A Ca21 130.90(3) 1_556 3_666 ? O31A O32A Ca21 130.90(3) 1_556 3_666 ? O22B O32A Ca21 82.90(2) 1_545 3_666 ? O22A O32A Ca21 82.90(2) 1_545 3_666 ? O12A O32A Ca21 128.56(3) . 3_666 ? O22A O32A Ca21 29.682(17) ? 3_666 ? O11A O32A Ca21 106.84(2) . 3_666 ? Mg21 O32A Ca21 0.000(9) 3_666 3_666 ? O32A O32A O31B 107.03(3) ? 4_756 ? SiB1 O32A O31B 126.95(3) . 4_756 ? SiA1 O32A O31B 92.22(3) . 4_756 ? FeM2 O32A O31B 60.606(19) 3_666 4_756 ? CaM2 O32A O31B 60.606(19) 3_666 4_756 ? O21A O32A O31B 75.58(2) . 4_756 ? O31A O32A O31B 70.84(2) . 4_756 ? O31B O32A O31B 104.79(2) 1_556 4_756 ? O31A O32A O31B 104.79(2) 1_556 4_756 ? O22B O32A O31B 102.30(3) 1_545 4_756 ? O22A O32A O31B 102.30(3) 1_545 4_756 ? O12A O32A O31B 161.90(3) . 4_756 ? O22A O32A O31B 81.99(3) ? 4_756 ? O11A O32A O31B 126.55(3) . 4_756 ? Mg21 O32A O31B 52.319(17) 3_666 4_756 ? Ca21 O32A O31B 52.319(17) 3_666 4_756 ? O32A O32A O31A 107.03(3) ? 4_756 ? SiB1 O32A O31A 126.95(3) . 4_756 ? SiA1 O32A O31A 92.22(3) . 4_756 ? FeM2 O32A O31A 60.606(19) 3_666 4_756 ? CaM2 O32A O31A 60.606(19) 3_666 4_756 ? O21A O32A O31A 75.58(2) . 4_756 ? O31A O32A O31A 70.84(2) . 4_756 ? O31B O32A O31A 104.79(2) 1_556 4_756 ? O31A O32A O31A 104.79(2) 1_556 4_756 ? O22B O32A O31A 102.30(3) 1_545 4_756 ? O22A O32A O31A 102.30(3) 1_545 4_756 ? O12A O32A O31A 161.90(3) . 4_756 ? O22A O32A O31A 81.99(3) ? 4_756 ? O11A O32A O31A 126.55(3) . 4_756 ? Mg21 O32A O31A 52.319(17) 3_666 4_756 ? Ca21 O32A O31A 52.319(17) 3_666 4_756 ? O31B O32A O31A 0.00(2) 4_756 4_756 ? O32A O32A O22B 110.01(3) ? 3_666 ? SiB1 O32A O22B 77.85(3) . 3_666 ? SiA1 O32A O22B 86.32(3) . 3_666 ? FeM2 O32A O22B 175.68(3) 3_666 3_666 ? CaM2 O32A O22B 175.68(3) 3_666 3_666 ? O21A O32A O22B 122.77(3) . 3_666 ? O31A O32A O22B 74.91(2) . 3_666 ? O31B O32A O22B 114.86(3) 1_556 3_666 ? O31A O32A O22B 114.86(3) 1_556 3_666 ? O22B O32A O22B 70.27(3) 1_545 3_666 ? O22A O32A O22B 70.27(3) 1_545 3_666 ? O12A O32A O22B 62.27(2) . 3_666 ? O22A O32A O22B 41.64(3) ? 3_666 ? O11A O32A O22B 63.39(2) . 3_666 ? Mg21 O32A O22B 71.308(19) 3_666 3_666 ? Ca21 O32A O22B 71.308(19) 3_666 3_666 ? O31B O32A O22B 123.55(3) 4_756 3_666 ? O31A O32A O22B 123.55(3) 4_756 3_666 ? O32A O32A O22A 110.01(3) ? 3_666 ? SiB1 O32A O22A 77.85(3) . 3_666 ? SiA1 O32A O22A 86.32(3) . 3_666 ? FeM2 O32A O22A 175.68(3) 3_666 3_666 ? CaM2 O32A O22A 175.68(3) 3_666 3_666 ? O21A O32A O22A 122.77(3) . 3_666 ? O31A O32A O22A 74.91(2) . 3_666 ? O31B O32A O22A 114.86(3) 1_556 3_666 ? O31A O32A O22A 114.86(3) 1_556 3_666 ? O22B O32A O22A 70.27(3) 1_545 3_666 ? O22A O32A O22A 70.27(3) 1_545 3_666 ? O12A O32A O22A 62.27(2) . 3_666 ? O22A O32A O22A 41.64(3) ? 3_666 ? O11A O32A O22A 63.39(2) . 3_666 ? Mg21 O32A O22A 71.308(19) 3_666 3_666 ? Ca21 O32A O22A 71.308(19) 3_666 3_666 ? O31B O32A O22A 123.55(3) 4_756 3_666 ? O31A O32A O22A 123.55(3) 4_756 3_666 ? O22B O32A O22A 0.00(3) 3_666 3_666 ? O32A O32A MgM1 95.77(3) ? . ? SiB1 O32A MgM1 70.69(2) . . ? SiA1 O32A MgM1 74.56(2) . . ? FeM2 O32A MgM1 138.24(2) 3_666 . ? CaM2 O32A MgM1 138.24(2) 3_666 . ? O21A O32A MgM1 102.50(2) . . ? O31A O32A MgM1 87.074(19) . . ? O31B O32A MgM1 98.55(2) 1_556 . ? O31A O32A MgM1 98.55(2) 1_556 . ? O22B O32A MgM1 85.10(2) 1_545 . ? O22A O32A MgM1 85.10(2) 1_545 . ? O12A O32A MgM1 38.870(15) . . ? O22A O32A MgM1 78.13(2) ? . ? O11A O32A MgM1 40.358(16) . . ? Mg21 O32A MgM1 107.12(2) 3_666 . ? Ca21 O32A MgM1 107.12(2) 3_666 . ? O31B O32A MgM1 155.96(3) 4_756 . ? O31A O32A MgM1 155.96(3) 4_756 . ? O22B O32A MgM1 37.444(15) 3_666 . ? O22A O32A MgM1 37.444(15) 3_666 . ? O32A O32A O32B 57.00(6) ? 4_757 ? SiB1 O32A O32B 79.68(3) . 4_757 ? SiA1 O32A O32B 133.08(3) . 4_757 ? FeM2 O32A O32B 47.578(15) 3_666 4_757 ? CaM2 O32A O32B 47.578(15) 3_666 4_757 ? O21A O32A O32B 99.64(2) . 4_757 ? O31A O32A O32B 121.08(3) . 4_757 ? O31B O32A O32B 55.37(2) 1_556 4_757 ? O31A O32A O32B 55.37(2) 1_556 4_757 ? O22B O32A O32B 69.50(2) 1_545 4_757 ? O22A O32A O32B 69.50(2) 1_545 4_757 ? O12A O32A O32B 112.60(3) . 4_757 ? O22A O32A O32B 107.77(2) ? 4_757 ? O11A O32A O32B 161.107(19) . 4_757 ? Mg21 O32A O32B 85.272(19) 3_666 4_757 ? Ca21 O32A O32B 85.272(19) 3_666 4_757 ? O31B O32A O32B 50.240(19) 4_756 4_757 ? O31A O32A O32B 50.240(19) 4_756 4_757 ? O22B O32A O32B 135.353(17) 3_666 4_757 ? O22A O32A O32B 135.353(17) 3_666 4_757 ? MgM1 O32A O32B 150.36(3) . 4_757 ? O32A O32A O32A 57.00(6) ? 4_757 ? SiB1 O32A O32A 79.68(3) . 4_757 ? SiA1 O32A O32A 133.08(3) . 4_757 ? FeM2 O32A O32A 47.578(15) 3_666 4_757 ? CaM2 O32A O32A 47.578(15) 3_666 4_757 ? O21A O32A O32A 99.64(2) . 4_757 ? O31A O32A O32A 121.08(3) . 4_757 ? O31B O32A O32A 55.37(2) 1_556 4_757 ? O31A O32A O32A 55.37(2) 1_556 4_757 ? O22B O32A O32A 69.50(2) 1_545 4_757 ? O22A O32A O32A 69.50(2) 1_545 4_757 ? O12A O32A O32A 112.60(3) . 4_757 ? O22A O32A O32A 107.77(2) ? 4_757 ? O11A O32A O32A 161.107(19) . 4_757 ? Mg21 O32A O32A 85.272(19) 3_666 4_757 ? Ca21 O32A O32A 85.272(19) 3_666 4_757 ? O31B O32A O32A 50.240(19) 4_756 4_757 ? O31A O32A O32A 50.240(19) 4_756 4_757 ? O22B O32A O32A 135.353(17) 3_666 4_757 ? O22A O32A O32A 135.353(17) 3_666 4_757 ? MgM1 O32A O32A 150.36(3) . 4_757 ? O32B O32A O32A 0.00(3) 4_757 4_757 ? O32A O32A O21B 61.16(2) ? 3_666 ? SiB1 O32A O21B 70.52(2) . 3_666 ? SiA1 O32A O21B 78.94(3) . 3_666 ? FeM2 O32A O21B 70.705(19) 3_666 3_666 ? CaM2 O32A O21B 70.705(19) 3_666 3_666 ? O21A O32A O21B 68.36(2) . 3_666 ? O31A O32A O21B 116.21(3) . 3_666 ? O31B O32A O21B 58.75(2) 1_556 3_666 ? O31A O32A O21B 58.75(2) 1_556 3_666 ? O22B O32A O21B 104.49(2) 1_545 3_666 ? O22A O32A O21B 104.49(2) 1_545 3_666 ? O12A O32A O21B 52.91(2) . 3_666 ? O22A O32A O21B 145.96(3) ? 3_666 ? O11A O32A O21B 63.86(2) . 3_666 ? Mg21 O32A O21B 170.33(2) 3_666 3_666 ? Ca21 O32A O21B 170.33(2) 3_666 3_666 ? O31B O32A O21B 130.08(3) 4_756 3_666 ? O31A O32A O21B 130.08(3) 4_756 3_666 ? O22B O32A O21B 104.98(2) 3_666 3_666 ? O22A O32A O21B 104.98(2) 3_666 3_666 ? MgM1 O32A O21B 67.917(16) . 3_666 ? O32B O32A O21B 103.05(2) 4_757 3_666 ? O32A O32A O21B 103.05(2) 4_757 3_666 ? O32A O32A O21A 61.16(2) ? 3_666 ? SiB1 O32A O21A 70.52(2) . 3_666 ? SiA1 O32A O21A 78.94(3) . 3_666 ? FeM2 O32A O21A 70.705(19) 3_666 3_666 ? CaM2 O32A O21A 70.705(19) 3_666 3_666 ? O21A O32A O21A 68.36(2) . 3_666 ? O31A O32A O21A 116.21(3) . 3_666 ? O31B O32A O21A 58.75(2) 1_556 3_666 ? O31A O32A O21A 58.75(2) 1_556 3_666 ? O22B O32A O21A 104.49(2) 1_545 3_666 ? O22A O32A O21A 104.49(2) 1_545 3_666 ? O12A O32A O21A 52.91(2) . 3_666 ? O22A O32A O21A 145.96(3) ? 3_666 ? O11A O32A O21A 63.86(2) . 3_666 ? Mg21 O32A O21A 170.33(2) 3_666 3_666 ? Ca21 O32A O21A 170.33(2) 3_666 3_666 ? O31B O32A O21A 130.08(3) 4_756 3_666 ? O31A O32A O21A 130.08(3) 4_756 3_666 ? O22B O32A O21A 104.98(2) 3_666 3_666 ? O22A O32A O21A 104.98(2) 3_666 3_666 ? MgM1 O32A O21A 67.917(16) . 3_666 ? O32B O32A O21A 103.05(2) 4_757 3_666 ? O32A O32A O21A 103.05(2) 4_757 3_666 ? O21B O32A O21A 0.00(2) 3_666 3_666 ? O32A O32A AlB 83.07(2) ? 4_757 ? SiB1 O32A AlB 98.19(3) . 4_757 ? SiA1 O32A AlB 121.13(3) . 4_757 ? FeM2 O32A AlB 63.382(15) 3_666 4_757 ? CaM2 O32A AlB 63.382(15) 3_666 4_757 ? O21A O32A AlB 99.82(2) . 4_757 ? O31A O32A AlB 96.15(2) . 4_757 ? O31B O32A AlB 82.348(19) 1_556 4_757 ? O31A O32A AlB 82.348(19) 1_556 4_757 ? O22B O32A AlB 75.02(2) 1_545 4_757 ? O22A O32A AlB 75.02(2) 1_545 4_757 ? O12A O32A AlB 133.15(2) . 4_757 ? O22A O32A AlB 83.54(2) ? 4_757 ? O11A O32A AlB 155.13(3) . 4_757 ? Mg21 O32A AlB 57.827(12) 3_666 4_757 ? Ca21 O32A AlB 57.827(12) 3_666 4_757 ? O31B O32A AlB 28.908(14) 4_756 4_757 ? O31A O32A AlB 28.908(14) 4_756 4_757 ? O22B O32A AlB 120.74(2) 3_666 4_757 ? O22A O32A AlB 120.74(2) 3_666 4_757 ? MgM1 O32A AlB 156.03(2) . 4_757 ? O32B O32A AlB 28.183(12) 4_757 4_757 ? O32A O32A AlB 28.183(12) 4_757 4_757 ? O21B O32A AlB 129.67(2) 3_666 4_757 ? O21A O32A AlB 129.67(2) 3_666 4_757 ? O32A O32A SiB1 83.07(2) ? 4_757 ? SiB1 O32A SiB1 98.19(3) . 4_757 ? SiA1 O32A SiB1 121.13(3) . 4_757 ? FeM2 O32A SiB1 63.382(15) 3_666 4_757 ? CaM2 O32A SiB1 63.382(15) 3_666 4_757 ? O21A O32A SiB1 99.82(2) . 4_757 ? O31A O32A SiB1 96.15(2) . 4_757 ? O31B O32A SiB1 82.348(19) 1_556 4_757 ? O31A O32A SiB1 82.348(19) 1_556 4_757 ? O22B O32A SiB1 75.02(2) 1_545 4_757 ? O22A O32A SiB1 75.02(2) 1_545 4_757 ? O12A O32A SiB1 133.15(2) . 4_757 ? O22A O32A SiB1 83.54(2) ? 4_757 ? O11A O32A SiB1 155.13(3) . 4_757 ? Mg21 O32A SiB1 57.827(12) 3_666 4_757 ? Ca21 O32A SiB1 57.827(12) 3_666 4_757 ? O31B O32A SiB1 28.908(14) 4_756 4_757 ? O31A O32A SiB1 28.908(14) 4_756 4_757 ? O22B O32A SiB1 120.74(2) 3_666 4_757 ? O22A O32A SiB1 120.74(2) 3_666 4_757 ? MgM1 O32A SiB1 156.03(2) . 4_757 ? O32B O32A SiB1 28.183(12) 4_757 4_757 ? O32A O32A SiB1 28.183(12) 4_757 4_757 ? O21B O32A SiB1 129.67(2) 3_666 4_757 ? O21A O32A SiB1 129.67(2) 3_666 4_757 ? AlB O32A SiB1 0.000(7) 4_757 4_757 ? O32A O32A O22B 86.43(2) ? 4_747 ? SiB1 O32A O22B 87.50(3) . 4_747 ? SiA1 O32A O22B 130.45(3) . 4_747 ? FeM2 O32A O22B 89.29(2) 3_666 4_747 ? CaM2 O32A O22B 89.29(2) 3_666 4_747 ? O21A O32A O22B 122.69(3) . 4_747 ? O31A O32A O22B 95.22(2) . 4_747 ? O31B O32A O22B 88.10(2) 1_556 4_747 ? O31A O32A O22B 88.10(2) 1_556 4_747 ? O22B O32A O22B 56.49(3) 1_545 4_747 ? O22A O32A O22B 56.49(3) 1_545 4_747 ? O12A O32A O22B 118.57(3) . 4_747 ? O22A O32A O22B 61.62(2) ? 4_747 ? O11A O32A O22B 149.57(3) . 4_747 ? Mg21 O32A O22B 43.421(14) 3_666 4_747 ? Ca21 O32A O22B 43.421(14) 3_666 4_747 ? O31B O32A O22B 47.123(19) 4_756 4_747 ? O31A O32A O22B 47.123(19) 4_756 4_747 ? O22B O32A O22B 94.664(18) 3_666 4_747 ? O22A O32A O22B 94.664(18) 3_666 4_747 ? MgM1 O32A O22B 129.47(2) . 4_747 ? O32B O32A O22B 46.177(16) 4_757 4_747 ? O32A O32A O22B 46.177(16) 4_757 4_747 ? O21B O32A O22B 146.14(2) 3_666 4_747 ? O21A O32A O22B 146.14(2) 3_666 4_747 ? AlB O32A O22B 26.673(12) 4_757 4_747 ? SiB1 O32A O22B 26.673(12) 4_757 4_747 ? O32A O32A O22A 86.43(2) ? 4_747 ? SiB1 O32A O22A 87.50(3) . 4_747 ? SiA1 O32A O22A 130.45(3) . 4_747 ? FeM2 O32A O22A 89.29(2) 3_666 4_747 ? CaM2 O32A O22A 89.29(2) 3_666 4_747 ? O21A O32A O22A 122.69(3) . 4_747 ? O31A O32A O22A 95.22(2) . 4_747 ? O31B O32A O22A 88.10(2) 1_556 4_747 ? O31A O32A O22A 88.10(2) 1_556 4_747 ? O22B O32A O22A 56.49(3) 1_545 4_747 ? O22A O32A O22A 56.49(3) 1_545 4_747 ? O12A O32A O22A 118.57(3) . 4_747 ? O22A O32A O22A 61.62(2) ? 4_747 ? O11A O32A O22A 149.57(3) . 4_747 ? Mg21 O32A O22A 43.421(14) 3_666 4_747 ? Ca21 O32A O22A 43.421(14) 3_666 4_747 ? O31B O32A O22A 47.123(19) 4_756 4_747 ? O31A O32A O22A 47.123(19) 4_756 4_747 ? O22B O32A O22A 94.664(18) 3_666 4_747 ? O22A O32A O22A 94.664(18) 3_666 4_747 ? MgM1 O32A O22A 129.47(2) . 4_747 ? O32B O32A O22A 46.177(16) 4_757 4_747 ? O32A O32A O22A 46.177(16) 4_757 4_747 ? O21B O32A O22A 146.14(2) 3_666 4_747 ? O21A O32A O22A 146.14(2) 3_666 4_747 ? AlB O32A O22A 26.673(12) 4_757 4_747 ? SiB1 O32A O22A 26.673(12) 4_757 4_747 ? O22B O32A O22A 0.000(16) 4_747 4_747 ? O32A O32A O12A 103.415(16) ? 3_656 ? SiB1 O32A O12A 80.18(3) . 3_656 ? SiA1 O32A O12A 113.83(3) . 3_656 ? FeM2 O32A O12A 138.03(2) 3_666 3_656 ? CaM2 O32A O12A 138.03(2) 3_666 3_656 ? O21A O32A O12A 141.74(3) . 3_656 ? O31A O32A O12A 81.37(2) . 3_656 ? O31B O32A O12A 108.14(3) 1_556 3_656 ? O31A O32A O12A 108.14(3) 1_556 3_656 ? O22B O32A O12A 50.39(2) 1_545 3_656 ? O22A O32A O12A 50.39(2) 1_545 3_656 ? O12A O32A O12A 90.54(2) . 3_656 ? O22A O32A O12A 23.951(18) ? 3_656 ? O11A O32A O12A 106.09(2) . 3_656 ? Mg21 O32A O12A 39.041(13) 3_666 3_656 ? Ca21 O32A O12A 39.041(13) 3_666 3_656 ? O31B O32A O12A 85.15(2) 4_756 3_656 ? O31A O32A O12A 85.15(2) 4_756 3_656 ? O22B O32A O12A 45.953(17) 3_666 3_656 ? O22A O32A O12A 45.953(17) 3_666 3_656 ? MgM1 O32A O12A 82.170(17) . 3_656 ? O32B O32A O12A 92.475(14) 4_757 3_656 ? O32A O32A O12A 92.475(14) 4_757 3_656 ? O21B O32A O12A 143.38(2) 3_666 3_656 ? O21A O32A O12A 143.38(2) 3_666 3_656 ? AlB O32A O12A 74.895(15) 4_757 3_656 ? SiB1 O32A O12A 74.895(15) 4_757 3_656 ? O22B O32A O12A 48.733(16) 4_747 3_656 ? O22A O32A O12A 48.733(16) 4_747 3_656 ? O32A O32A O12B 103.415(16) ? 3_656 ? SiB1 O32A O12B 80.18(3) . 3_656 ? SiA1 O32A O12B 113.83(3) . 3_656 ? FeM2 O32A O12B 138.03(2) 3_666 3_656 ? CaM2 O32A O12B 138.03(2) 3_666 3_656 ? O21A O32A O12B 141.74(3) . 3_656 ? O31A O32A O12B 81.37(2) . 3_656 ? O31B O32A O12B 108.14(3) 1_556 3_656 ? O31A O32A O12B 108.14(3) 1_556 3_656 ? O22B O32A O12B 50.39(2) 1_545 3_656 ? O22A O32A O12B 50.39(2) 1_545 3_656 ? O12A O32A O12B 90.54(2) . 3_656 ? O22A O32A O12B 23.951(18) ? 3_656 ? O11A O32A O12B 106.09(2) . 3_656 ? Mg21 O32A O12B 39.041(13) 3_666 3_656 ? Ca21 O32A O12B 39.041(13) 3_666 3_656 ? O31B O32A O12B 85.15(2) 4_756 3_656 ? O31A O32A O12B 85.15(2) 4_756 3_656 ? O22B O32A O12B 45.953(17) 3_666 3_656 ? O22A O32A O12B 45.953(17) 3_666 3_656 ? MgM1 O32A O12B 82.170(17) . 3_656 ? O32B O32A O12B 92.475(14) 4_757 3_656 ? O32A O32A O12B 92.475(14) 4_757 3_656 ? O21B O32A O12B 143.38(2) 3_666 3_656 ? O21A O32A O12B 143.38(2) 3_666 3_656 ? AlB O32A O12B 74.895(15) 4_757 3_656 ? SiB1 O32A O12B 74.895(15) 4_757 3_656 ? O22B O32A O12B 48.733(16) 4_747 3_656 ? O22A O32A O12B 48.733(16) 4_747 3_656 ? O12A O32A O12B 0.000(19) 3_656 3_656 ? O32A O32A AlB 102.351(16) ? 3_656 ? SiB1 O32A AlB 72.02(2) . 3_656 ? SiA1 O32A AlB 104.84(3) . 3_656 ? FeM2 O32A AlB 160.36(2) 3_666 3_656 ? CaM2 O32A AlB 160.36(2) 3_666 3_656 ? O21A O32A AlB 140.94(3) . 3_656 ? O31A O32A AlB 82.94(2) . 3_656 ? O31B O32A AlB 107.60(2) 1_556 3_656 ? O31A O32A AlB 107.60(2) 1_556 3_656 ? O22B O32A AlB 53.126(18) 1_545 3_656 ? O22A O32A AlB 53.126(18) 1_545 3_656 ? O12A O32A AlB 70.481(19) . 3_656 ? O22A O32A AlB 31.27(2) ? 3_656 ? O11A O32A AlB 86.08(2) . 3_656 ? Mg21 O32A AlB 58.245(13) 3_666 3_656 ? Ca21 O32A AlB 58.245(13) 3_666 3_656 ? O31B O32A AlB 108.61(2) 4_756 3_656 ? O31A O32A AlB 108.61(2) 4_756 3_656 ? O22B O32A AlB 22.886(13) 3_666 3_656 ? O22A O32A AlB 22.886(13) 3_666 3_656 ? MgM1 O32A AlB 57.700(12) . 3_656 ? O32B O32A AlB 112.782(9) 4_757 3_656 ? O32A O32A AlB 112.782(9) 4_757 3_656 ? O21B O32A AlB 121.21(2) 3_666 3_656 ? O21A O32A AlB 121.21(2) 3_666 3_656 ? AlB O32A AlB 99.017(16) 4_757 3_656 ? SiB1 O32A AlB 99.017(16) 4_757 3_656 ? O22B O32A AlB 72.471(16) 4_747 3_656 ? O22A O32A AlB 72.471(16) 4_747 3_656 ? O12A O32A AlB 24.529(10) 3_656 3_656 ? O12B O32A AlB 24.529(10) 3_656 3_656 ? O32A O32A SiB1 102.351(16) ? 3_656 ? SiB1 O32A SiB1 72.02(2) . 3_656 ? SiA1 O32A SiB1 104.84(3) . 3_656 ? FeM2 O32A SiB1 160.36(2) 3_666 3_656 ? CaM2 O32A SiB1 160.36(2) 3_666 3_656 ? O21A O32A SiB1 140.94(3) . 3_656 ? O31A O32A SiB1 82.94(2) . 3_656 ? O31B O32A SiB1 107.60(2) 1_556 3_656 ? O31A O32A SiB1 107.60(2) 1_556 3_656 ? O22B O32A SiB1 53.126(18) 1_545 3_656 ? O22A O32A SiB1 53.126(18) 1_545 3_656 ? O12A O32A SiB1 70.481(19) . 3_656 ? O22A O32A SiB1 31.27(2) ? 3_656 ? O11A O32A SiB1 86.08(2) . 3_656 ? Mg21 O32A SiB1 58.245(13) 3_666 3_656 ? Ca21 O32A SiB1 58.245(13) 3_666 3_656 ? O31B O32A SiB1 108.61(2) 4_756 3_656 ? O31A O32A SiB1 108.61(2) 4_756 3_656 ? O22B O32A SiB1 22.886(13) 3_666 3_656 ? O22A O32A SiB1 22.886(13) 3_666 3_656 ? MgM1 O32A SiB1 57.700(12) . 3_656 ? O32B O32A SiB1 112.782(9) 4_757 3_656 ? O32A O32A SiB1 112.782(9) 4_757 3_656 ? O21B O32A SiB1 121.21(2) 3_666 3_656 ? O21A O32A SiB1 121.21(2) 3_666 3_656 ? AlB O32A SiB1 99.017(16) 4_757 3_656 ? SiB1 O32A SiB1 99.017(16) 4_757 3_656 ? O22B O32A SiB1 72.471(16) 4_747 3_656 ? O22A O32A SiB1 72.471(16) 4_747 3_656 ? O12A O32A SiB1 24.529(10) 3_656 3_656 ? O12B O32A SiB1 24.529(10) 3_656 3_656 ? AlB O32A SiB1 0.000(11) 3_656 3_656 ? O32A O32A MnM1 76.513(13) ? 3_656 ? SiB1 O32A MnM1 63.23(2) . 3_656 ? SiA1 O32A MnM1 143.55(3) . 3_656 ? FeM2 O32A MnM1 112.22(2) 3_666 3_656 ? CaM2 O32A MnM1 112.22(2) 3_666 3_656 ? O21A O32A MnM1 153.85(2) . 3_656 ? O31A O32A MnM1 107.43(2) . 3_656 ? O31B O32A MnM1 80.47(2) 1_556 3_656 ? O31A O32A MnM1 80.47(2) 1_556 3_656 ? O22B O32A MnM1 29.226(15) 1_545 3_656 ? O22A O32A MnM1 29.226(15) 1_545 3_656 ? O12A O32A MnM1 88.84(2) . 3_656 ? O22A O32A MnM1 53.883(17) ? 3_656 ? O11A O32A MnM1 134.20(2) . 3_656 ? Mg21 O32A MnM1 54.574(12) 3_666 3_656 ? Ca21 O32A MnM1 54.574(12) 3_666 3_656 ? O31B O32A MnM1 78.39(2) 4_756 3_656 ? O31A O32A MnM1 78.39(2) 4_756 3_656 ? O22B O32A MnM1 70.821(18) 3_666 3_656 ? O22A O32A MnM1 70.821(18) 3_666 3_656 ? MgM1 O32A MnM1 100.181(16) . 3_656 ? O32B O32A MnM1 64.647(9) 4_757 3_656 ? O32A O32A MnM1 64.647(9) 4_757 3_656 ? O21B O32A MnM1 133.45(2) 3_666 3_656 ? O21A O32A MnM1 133.45(2) 3_666 3_656 ? AlB O32A MnM1 56.161(10) 4_757 3_656 ? SiB1 O32A MnM1 56.161(10) 4_757 3_656 ? O22B O32A MnM1 31.438(12) 4_747 3_656 ? O22A O32A MnM1 31.438(12) 4_747 3_656 ? O12A O32A MnM1 31.135(11) 3_656 3_656 ? O12B O32A MnM1 31.135(11) 3_656 3_656 ? AlB O32A MnM1 48.135(9) 3_656 3_656 ? SiB1 O32A MnM1 48.135(9) 3_656 3_656 ? O32A O32A AlM1 76.513(13) ? 3_656 ? SiB1 O32A AlM1 63.23(2) . 3_656 ? SiA1 O32A AlM1 143.55(3) . 3_656 ? FeM2 O32A AlM1 112.22(2) 3_666 3_656 ? CaM2 O32A AlM1 112.22(2) 3_666 3_656 ? O21A O32A AlM1 153.85(2) . 3_656 ? O31A O32A AlM1 107.43(2) . 3_656 ? O31B O32A AlM1 80.47(2) 1_556 3_656 ? O31A O32A AlM1 80.47(2) 1_556 3_656 ? O22B O32A AlM1 29.226(15) 1_545 3_656 ? O22A O32A AlM1 29.226(15) 1_545 3_656 ? O12A O32A AlM1 88.84(2) . 3_656 ? O22A O32A AlM1 53.883(17) ? 3_656 ? O11A O32A AlM1 134.20(2) . 3_656 ? Mg21 O32A AlM1 54.574(12) 3_666 3_656 ? Ca21 O32A AlM1 54.574(12) 3_666 3_656 ? O31B O32A AlM1 78.39(2) 4_756 3_656 ? O31A O32A AlM1 78.39(2) 4_756 3_656 ? O22B O32A AlM1 70.821(18) 3_666 3_656 ? O22A O32A AlM1 70.821(18) 3_666 3_656 ? MgM1 O32A AlM1 100.181(16) . 3_656 ? O32B O32A AlM1 64.647(9) 4_757 3_656 ? O32A O32A AlM1 64.647(9) 4_757 3_656 ? O21B O32A AlM1 133.45(2) 3_666 3_656 ? O21A O32A AlM1 133.45(2) 3_666 3_656 ? AlB O32A AlM1 56.161(10) 4_757 3_656 ? SiB1 O32A AlM1 56.161(10) 4_757 3_656 ? O22B O32A AlM1 31.438(12) 4_747 3_656 ? O22A O32A AlM1 31.438(12) 4_747 3_656 ? O12A O32A AlM1 31.135(11) 3_656 3_656 ? O12B O32A AlM1 31.135(11) 3_656 3_656 ? AlB O32A AlM1 48.135(9) 3_656 3_656 ? SiB1 O32A AlM1 48.135(9) 3_656 3_656 ? MnM1 O32A AlM1 0.000(5) 3_656 3_656 ? O32A O32A F2M1 76.513(13) ? 3_656 ? SiB1 O32A F2M1 63.23(2) . 3_656 ? SiA1 O32A F2M1 143.55(3) . 3_656 ? FeM2 O32A F2M1 112.22(2) 3_666 3_656 ? CaM2 O32A F2M1 112.22(2) 3_666 3_656 ? O21A O32A F2M1 153.85(2) . 3_656 ? O31A O32A F2M1 107.43(2) . 3_656 ? O31B O32A F2M1 80.47(2) 1_556 3_656 ? O31A O32A F2M1 80.47(2) 1_556 3_656 ? O22B O32A F2M1 29.226(15) 1_545 3_656 ? O22A O32A F2M1 29.226(15) 1_545 3_656 ? O12A O32A F2M1 88.84(2) . 3_656 ? O22A O32A F2M1 53.883(17) ? 3_656 ? O11A O32A F2M1 134.20(2) . 3_656 ? Mg21 O32A F2M1 54.574(12) 3_666 3_656 ? Ca21 O32A F2M1 54.574(12) 3_666 3_656 ? O31B O32A F2M1 78.39(2) 4_756 3_656 ? O31A O32A F2M1 78.39(2) 4_756 3_656 ? O22B O32A F2M1 70.821(18) 3_666 3_656 ? O22A O32A F2M1 70.821(18) 3_666 3_656 ? MgM1 O32A F2M1 100.181(16) . 3_656 ? O32B O32A F2M1 64.647(9) 4_757 3_656 ? O32A O32A F2M1 64.647(9) 4_757 3_656 ? O21B O32A F2M1 133.45(2) 3_666 3_656 ? O21A O32A F2M1 133.45(2) 3_666 3_656 ? AlB O32A F2M1 56.161(10) 4_757 3_656 ? SiB1 O32A F2M1 56.161(10) 4_757 3_656 ? O22B O32A F2M1 31.438(12) 4_747 3_656 ? O22A O32A F2M1 31.438(12) 4_747 3_656 ? O12A O32A F2M1 31.135(11) 3_656 3_656 ? O12B O32A F2M1 31.135(11) 3_656 3_656 ? AlB O32A F2M1 48.135(9) 3_656 3_656 ? SiB1 O32A F2M1 48.135(9) 3_656 3_656 ? MnM1 O32A F2M1 0.000(5) 3_656 3_656 ? AlM1 O32A F2M1 0.000(5) 3_656 3_656 ? O32A O32A MgM1 76.513(13) ? 3_656 ? SiB1 O32A MgM1 63.23(2) . 3_656 ? SiA1 O32A MgM1 143.55(3) . 3_656 ? FeM2 O32A MgM1 112.22(2) 3_666 3_656 ? CaM2 O32A MgM1 112.22(2) 3_666 3_656 ? O21A O32A MgM1 153.85(2) . 3_656 ? O31A O32A MgM1 107.43(2) . 3_656 ? O31B O32A MgM1 80.47(2) 1_556 3_656 ? O31A O32A MgM1 80.47(2) 1_556 3_656 ? O22B O32A MgM1 29.226(15) 1_545 3_656 ? O22A O32A MgM1 29.226(15) 1_545 3_656 ? O12A O32A MgM1 88.84(2) . 3_656 ? O22A O32A MgM1 53.883(17) ? 3_656 ? O11A O32A MgM1 134.20(2) . 3_656 ? Mg21 O32A MgM1 54.574(12) 3_666 3_656 ? Ca21 O32A MgM1 54.574(12) 3_666 3_656 ? O31B O32A MgM1 78.39(2) 4_756 3_656 ? O31A O32A MgM1 78.39(2) 4_756 3_656 ? O22B O32A MgM1 70.821(18) 3_666 3_656 ? O22A O32A MgM1 70.821(18) 3_666 3_656 ? MgM1 O32A MgM1 100.181(16) . 3_656 ? O32B O32A MgM1 64.647(9) 4_757 3_656 ? O32A O32A MgM1 64.647(9) 4_757 3_656 ? O21B O32A MgM1 133.45(2) 3_666 3_656 ? O21A O32A MgM1 133.45(2) 3_666 3_656 ? AlB O32A MgM1 56.161(10) 4_757 3_656 ? SiB1 O32A MgM1 56.161(10) 4_757 3_656 ? O22B O32A MgM1 31.438(12) 4_747 3_656 ? O22A O32A MgM1 31.438(12) 4_747 3_656 ? O12A O32A MgM1 31.135(11) 3_656 3_656 ? O12B O32A MgM1 31.135(11) 3_656 3_656 ? AlB O32A MgM1 48.135(9) 3_656 3_656 ? SiB1 O32A MgM1 48.135(9) 3_656 3_656 ? MnM1 O32A MgM1 0.000(5) 3_656 3_656 ? AlM1 O32A MgM1 0.000(5) 3_656 3_656 ? F2M1 O32A MgM1 0.000(5) 3_656 3_656 ? O32A O32A AlB 167.19(2) ? 1_554 ? SiB1 O32A AlB 135.00(3) . 1_554 ? SiA1 O32A AlB 46.581(19) . 1_554 ? FeM2 O32A AlB 124.36(2) 3_666 1_554 ? CaM2 O32A AlB 124.36(2) 3_666 1_554 ? O21A O32A AlB 76.97(2) . 1_554 ? O31A O32A AlB 17.885(15) . 1_554 ? O31B O32A AlB 171.96(3) 1_556 1_554 ? O31A O32A AlB 171.96(3) 1_556 1_554 ? O22B O32A AlB 116.81(2) 1_545 1_554 ? O22A O32A AlB 116.81(2) 1_545 1_554 ? O12A O32A AlB 112.54(2) . 1_554 ? O22A O32A AlB 43.808(16) ? 1_554 ? O11A O32A AlB 57.186(17) . 1_554 ? Mg21 O32A AlB 50.279(10) 3_666 1_554 ? Ca21 O32A AlB 50.279(10) 3_666 1_554 ? O31B O32A AlB 82.038(19) 4_756 1_554 ? O31A O32A AlB 82.038(19) 4_756 1_554 ? O22B O32A AlB 57.200(16) 3_666 1_554 ? O22A O32A AlB 57.200(16) 3_666 1_554 ? MgM1 O32A AlB 74.281(12) . 1_554 ? O32B O32A AlB 130.42(3) 4_757 1_554 ? O32A O32A AlB 130.42(3) 4_757 1_554 ? O21B O32A AlB 120.10(2) 3_666 1_554 ? O21A O32A AlB 120.10(2) 3_666 1_554 ? AlB O32A AlB 102.679(15) 4_757 1_554 ? SiB1 O32A AlB 102.679(15) 4_757 1_554 ? O22B O32A AlB 93.692(18) 4_747 1_554 ? O22A O32A AlB 93.692(18) 4_747 1_554 ? O12A O32A AlB 67.737(14) 3_656 1_554 ? O12B O32A AlB 67.737(14) 3_656 1_554 ? AlB O32A AlB 65.648(11) 3_656 1_554 ? SiB1 O32A AlB 65.648(11) 3_656 1_554 ? MnM1 O32A AlB 97.015(14) 3_656 1_554 ? AlM1 O32A AlB 97.015(14) 3_656 1_554 ? F2M1 O32A AlB 97.015(14) 3_656 1_554 ? MgM1 O32A AlB 97.015(14) 3_656 1_554 ? O32A O32A SiB1 167.19(2) ? 1_554 ? SiB1 O32A SiB1 135.00(3) . 1_554 ? SiA1 O32A SiB1 46.581(19) . 1_554 ? FeM2 O32A SiB1 124.36(2) 3_666 1_554 ? CaM2 O32A SiB1 124.36(2) 3_666 1_554 ? O21A O32A SiB1 76.97(2) . 1_554 ? O31A O32A SiB1 17.885(15) . 1_554 ? O31B O32A SiB1 171.96(3) 1_556 1_554 ? O31A O32A SiB1 171.96(3) 1_556 1_554 ? O22B O32A SiB1 116.81(2) 1_545 1_554 ? O22A O32A SiB1 116.81(2) 1_545 1_554 ? O12A O32A SiB1 112.54(2) . 1_554 ? O22A O32A SiB1 43.808(16) ? 1_554 ? O11A O32A SiB1 57.186(17) . 1_554 ? Mg21 O32A SiB1 50.279(10) 3_666 1_554 ? Ca21 O32A SiB1 50.279(10) 3_666 1_554 ? O31B O32A SiB1 82.038(19) 4_756 1_554 ? O31A O32A SiB1 82.038(19) 4_756 1_554 ? O22B O32A SiB1 57.200(16) 3_666 1_554 ? O22A O32A SiB1 57.200(16) 3_666 1_554 ? MgM1 O32A SiB1 74.281(12) . 1_554 ? O32B O32A SiB1 130.42(3) 4_757 1_554 ? O32A O32A SiB1 130.42(3) 4_757 1_554 ? O21B O32A SiB1 120.10(2) 3_666 1_554 ? O21A O32A SiB1 120.10(2) 3_666 1_554 ? AlB O32A SiB1 102.679(15) 4_757 1_554 ? SiB1 O32A SiB1 102.679(15) 4_757 1_554 ? O22B O32A SiB1 93.692(18) 4_747 1_554 ? O22A O32A SiB1 93.692(18) 4_747 1_554 ? O12A O32A SiB1 67.737(14) 3_656 1_554 ? O12B O32A SiB1 67.737(14) 3_656 1_554 ? AlB O32A SiB1 65.648(11) 3_656 1_554 ? SiB1 O32A SiB1 65.648(11) 3_656 1_554 ? MnM1 O32A SiB1 97.015(14) 3_656 1_554 ? AlM1 O32A SiB1 97.015(14) 3_656 1_554 ? F2M1 O32A SiB1 97.015(14) 3_656 1_554 ? MgM1 O32A SiB1 97.015(14) 3_656 1_554 ? AlB O32A SiB1 0.000(6) 1_554 1_554 ? O32A O32A MM11 55.28(2) ? . ? SiB1 O32A MM11 49.409(19) . . ? SiA1 O32A MM11 92.68(2) . . ? FeM2 O32A MM11 93.733(18) 3_666 . ? CaM2 O32A MM11 93.733(18) 3_666 . ? O21A O32A MM11 93.67(2) . . ? O31A O32A MM11 124.85(2) . . ? O31B O32A MM11 55.748(15) 1_556 . ? O31A O32A MM11 55.748(15) 1_556 . ? O22B O32A MM11 82.33(2) 1_545 . ? O22A O32A MM11 82.33(2) 1_545 . ? O12A O32A MM11 25.319(15) . . ? O22A O32A MM11 123.44(3) ? . ? O11A O32A MM11 64.748(18) . . ? Mg21 O32A MM11 152.77(2) 3_666 . ? Ca21 O32A MM11 152.77(2) 3_666 . ? O31B O32A MM11 154.06(3) 4_756 . ? O31A O32A MM11 154.06(3) 4_756 . ? O22B O32A MM11 82.193(18) 3_666 . ? O22A O32A MM11 82.193(18) 3_666 . ? MgM1 O32A MM11 48.842(9) . . ? O32B O32A MM11 110.55(2) 4_757 . ? O32A O32A MM11 110.55(2) 4_757 . ? O21B O32A MM11 27.600(12) 3_666 . ? O21A O32A MM11 27.600(12) 3_666 . ? AlB O32A MM11 138.091(18) 4_757 . ? SiB1 O32A MM11 138.091(18) 4_757 . ? O22B O32A MM11 136.63(2) 4_747 . ? O22A O32A MM11 136.63(2) 4_747 . ? O12A O32A MM11 115.806(18) 3_656 . ? O12B O32A MM11 115.806(18) 3_656 . ? AlB O32A MM11 94.686(14) 3_656 . ? SiB1 O32A MM11 94.686(14) 3_656 . ? MnM1 O32A MM11 111.124(14) 3_656 . ? AlM1 O32A MM11 111.124(14) 3_656 . ? F2M1 O32A MM11 111.124(14) 3_656 . ? MgM1 O32A MM11 111.124(14) 3_656 . ? AlB O32A MM11 119.026(15) 1_554 . ? SiB1 O32A MM11 119.026(15) 1_554 . ? O21A SiA1 O11A 118.78(3) . . ? O21A SiA1 O31A 109.72(3) . . ? O11A SiA1 O31A 108.50(3) . . ? O21A SiA1 O32A 105.00(3) . . ? O11A SiA1 O32A 108.97(3) . . ? O31A SiA1 O32A 104.98(3) . . ? O21A SiA1 O32A 104.65(3) . ? ? O11A SiA1 O32A 108.75(3) . ? ? O31A SiA1 O32A 105.63(4) . ? ? O32A SiA1 O32A 0.65(3) . ? ? O21A SiA1 CaM2 50.70(2) . 3_666 ? O11A SiA1 CaM2 132.76(2) . 3_666 ? O31A SiA1 CaM2 118.33(2) . 3_666 ? O32A SiA1 CaM2 54.31(2) . 3_666 ? O32A SiA1 CaM2 53.98(2) ? 3_666 ? O21A SiA1 O21B 86.93(3) . 3_665 ? O11A SiA1 O21B 61.51(3) . 3_665 ? O31A SiA1 O21B 72.90(3) . 3_665 ? O32A SiA1 O21B 167.71(3) . 3_665 ? O32A SiA1 O21B 167.90(2) ? 3_665 ? CaM2 SiA1 O21B 137.611(15) 3_666 3_665 ? O21A SiA1 Cr11 116.17(3) . 1_554 ? O11A SiA1 Cr11 30.38(2) . 1_554 ? O31A SiA1 Cr11 82.57(2) . 1_554 ? O32A SiA1 Cr11 132.82(2) . 1_554 ? O32A SiA1 Cr11 132.85(2) ? 1_554 ? CaM2 SiA1 Cr11 157.205(11) 3_666 1_554 ? O21B SiA1 Cr11 35.446(12) 3_665 1_554 ? O22B SiB1 O22A 0.000(19) 1_545 1_545 ? O22B SiB1 O12A 117.77(3) 1_545 . ? O22A SiB1 O12A 117.77(3) 1_545 . ? O22B SiB1 O32A 110.66(4) 1_545 ? ? O22A SiB1 O32A 110.66(4) 1_545 ? ? O12A SiB1 O32A 109.60(3) . ? ? O22B SiB1 O32A 110.47(3) 1_545 . ? O22A SiB1 O32A 110.47(3) 1_545 . ? O12A SiB1 O32A 109.33(3) . . ? O32A SiB1 O32A 0.55(2) ? . ? O22B SiB1 O31B 104.57(3) 1_545 1_556 ? O22A SiB1 O31B 104.57(3) 1_545 1_556 ? O12A SiB1 O31B 107.80(3) . 1_556 ? O32A SiB1 O31B 105.60(3) ? 1_556 ? O32A SiB1 O31B 106.15(3) . 1_556 ? O22B SiB1 O31A 104.57(3) 1_545 1_556 ? O22A SiB1 O31A 104.57(3) 1_545 1_556 ? O12A SiB1 O31A 107.80(3) . 1_556 ? O32A SiB1 O31A 105.60(3) ? 1_556 ? O32A SiB1 O31A 106.15(3) . 1_556 ? O31B SiB1 O31A 0.00(3) 1_556 1_556 ? O22B SiB1 Mg21 50.59(2) 1_545 3_667 ? O22A SiB1 Mg21 50.59(2) 1_545 3_667 ? O12A SiB1 Mg21 129.45(2) . 3_667 ? O32A SiB1 Mg21 120.49(2) ? 3_667 ? O32A SiB1 Mg21 120.81(2) . 3_667 ? O31B SiB1 Mg21 53.98(2) 1_556 3_667 ? O31A SiB1 Mg21 53.98(2) 1_556 3_667 ? O22B SiB1 Ca21 50.59(2) 1_545 3_667 ? O22A SiB1 Ca21 50.59(2) 1_545 3_667 ? O12A SiB1 Ca21 129.45(2) . 3_667 ? O32A SiB1 Ca21 120.49(2) ? 3_667 ? O32A SiB1 Ca21 120.81(2) . 3_667 ? O31B SiB1 Ca21 53.98(2) 1_556 3_667 ? O31A SiB1 Ca21 53.98(2) 1_556 3_667 ? Mg21 SiB1 Ca21 0.000(10) 3_667 3_667 ? O22B SiB1 SiA2 111.86(3) 1_545 1_556 ? O22A SiB1 SiA2 111.86(3) 1_545 1_556 ? O12A SiB1 SiA2 85.99(2) . 1_556 ? O32A SiB1 SiA2 119.29(2) ? 1_556 ? O32A SiB1 SiA2 119.80(3) . 1_556 ? O31B SiB1 SiA2 22.41(2) 1_556 1_556 ? O31A SiB1 SiA2 22.41(2) 1_556 1_556 ? Mg21 SiB1 SiA2 64.786(7) 3_667 1_556 ? Ca21 SiB1 SiA2 64.786(7) 3_667 1_556 ? O22B MgM1 O22A 0.00(4) 2_464 2_464 ? O22B MgM1 O22B 94.37(4) 2_464 3_666 ? O22A MgM1 O22B 94.37(4) 2_464 3_666 ? O22B MgM1 O22A 94.37(4) 2_464 3_666 ? O22A MgM1 O22A 94.37(4) 2_464 3_666 ? O22B MgM1 O22A 0.00(4) 3_666 3_666 ? O22B MgM1 O12B 91.60(3) 2_464 4_656 ? O22A MgM1 O12B 91.60(3) 2_464 4_656 ? O22B MgM1 O12B 94.60(3) 3_666 4_656 ? O22A MgM1 O12B 94.60(3) 3_666 4_656 ? O22B MgM1 O12A 91.60(3) 2_464 4_656 ? O22A MgM1 O12A 91.60(3) 2_464 4_656 ? O22B MgM1 O12A 94.60(3) 3_666 4_656 ? O22A MgM1 O12A 94.60(3) 3_666 4_656 ? O12B MgM1 O12A 0.00(5) 4_656 4_656 ? O22B MgM1 O12A 94.60(3) 2_464 . ? O22A MgM1 O12A 94.60(3) 2_464 . ? O22B MgM1 O12A 91.60(3) 3_666 . ? O22A MgM1 O12A 91.60(3) 3_666 . ? O12B MgM1 O12A 170.89(4) 4_656 . ? O12A MgM1 O12A 170.89(4) 4_656 . ? O22B MgM1 O11A 167.52(3) 2_464 . ? O22A MgM1 O11A 167.52(3) 2_464 . ? O22B MgM1 O11A 91.53(2) 3_666 . ? O22A MgM1 O11A 91.53(2) 3_666 . ? O12B MgM1 O11A 76.97(2) 4_656 . ? O12A MgM1 O11A 76.97(2) 4_656 . ? O12A MgM1 O11A 96.22(2) . . ? O22B MgM1 O11B 91.53(2) 2_464 4_656 ? O22A MgM1 O11B 91.53(2) 2_464 4_656 ? O22B MgM1 O11B 167.52(3) 3_666 4_656 ? O22A MgM1 O11B 167.52(3) 3_666 4_656 ? O12B MgM1 O11B 96.22(2) 4_656 4_656 ? O12A MgM1 O11B 96.22(2) 4_656 4_656 ? O12A MgM1 O11B 76.97(2) . 4_656 ? O11A MgM1 O11B 84.87(3) . 4_656 ? O22B MgM1 O11A 91.53(2) 2_464 4_656 ? O22A MgM1 O11A 91.53(2) 2_464 4_656 ? O22B MgM1 O11A 167.52(3) 3_666 4_656 ? O22A MgM1 O11A 167.52(3) 3_666 4_656 ? O12B MgM1 O11A 96.22(2) 4_656 4_656 ? O12A MgM1 O11A 96.22(2) 4_656 4_656 ? O12A MgM1 O11A 76.97(2) . 4_656 ? O11A MgM1 O11A 84.87(3) . 4_656 ? O11B MgM1 O11A 0.00(3) 4_656 4_656 ? O21B MM11 O21A 0.00(5) 3_666 3_666 ? O21B MM11 O21B 97.12(4) 3_666 2_465 ? O21A MM11 O21B 97.12(4) 3_666 2_465 ? O21B MM11 O21A 97.12(4) 3_666 2_465 ? O21A MM11 O21A 97.12(4) 3_666 2_465 ? O21B MM11 O21A 0.00(4) 2_465 2_465 ? O21B MM11 O11B 93.95(3) 3_666 4_656 ? O21A MM11 O11B 93.95(3) 3_666 4_656 ? O21B MM11 O11B 89.03(3) 2_465 4_656 ? O21A MM11 O11B 89.03(3) 2_465 4_656 ? O21B MM11 O11A 93.95(3) 3_666 4_656 ? O21A MM11 O11A 93.95(3) 3_666 4_656 ? O21B MM11 O11A 89.03(3) 2_465 4_656 ? O21A MM11 O11A 89.03(3) 2_465 4_656 ? O11B MM11 O11A 0.00(5) 4_656 4_656 ? O21B MM11 O11B 89.03(3) 3_666 1_556 ? O21A MM11 O11B 89.03(3) 3_666 1_556 ? O21B MM11 O11B 93.95(3) 2_465 1_556 ? O21A MM11 O11B 93.95(3) 2_465 1_556 ? O11B MM11 O11B 175.50(4) 4_656 1_556 ? O11A MM11 O11B 175.50(4) 4_656 1_556 ? O21B MM11 O11A 89.03(3) 3_666 1_556 ? O21A MM11 O11A 89.03(3) 3_666 1_556 ? O21B MM11 O11A 93.95(3) 2_465 1_556 ? O21A MM11 O11A 93.95(3) 2_465 1_556 ? O11B MM11 O11A 175.50(4) 4_656 1_556 ? O11A MM11 O11A 175.50(4) 4_656 1_556 ? O11B MM11 O11A 0.00(4) 1_556 1_556 ? O21B MM11 O12B 169.82(3) 3_666 4_657 ? O21A MM11 O12B 169.82(3) 3_666 4_657 ? O21B MM11 O12B 90.23(3) 2_465 4_657 ? O21A MM11 O12B 90.23(3) 2_465 4_657 ? O11B MM11 O12B 93.20(3) 4_656 4_657 ? O11A MM11 O12B 93.20(3) 4_656 4_657 ? O11B MM11 O12B 83.43(3) 1_556 4_657 ? O11A MM11 O12B 83.43(3) 1_556 4_657 ? O21B MM11 O12A 169.82(3) 3_666 4_657 ? O21A MM11 O12A 169.82(3) 3_666 4_657 ? O21B MM11 O12A 90.23(3) 2_465 4_657 ? O21A MM11 O12A 90.23(3) 2_465 4_657 ? O11B MM11 O12A 93.20(3) 4_656 4_657 ? O11A MM11 O12A 93.20(3) 4_656 4_657 ? O11B MM11 O12A 83.43(3) 1_556 4_657 ? O11A MM11 O12A 83.43(3) 1_556 4_657 ? O12B MM11 O12A 0.00(4) 4_657 4_657 ? O21B MM11 O12A 90.23(3) 3_666 . ? O21A MM11 O12A 90.23(3) 3_666 . ? O21B MM11 O12A 169.82(3) 2_465 . ? O21A MM11 O12A 169.82(3) 2_465 . ? O11B MM11 O12A 83.43(3) 4_656 . ? O11A MM11 O12A 83.43(3) 4_656 . ? O11B MM11 O12A 93.20(3) 1_556 . ? O11A MM11 O12A 93.20(3) 1_556 . ? O12B MM11 O12A 83.39(4) 4_657 . ? O12A MM11 O12A 83.39(4) 4_657 . ? O11B CaM2 O11A 0.00(3) 4_656 4_656 ? O11B CaM2 O11A 75.09(3) 4_656 . ? O11A CaM2 O11A 75.09(3) 4_656 . ? O11B CaM2 O21B 86.33(2) 4_656 2_464 ? O11A CaM2 O21B 86.33(2) 4_656 2_464 ? O11A CaM2 O21B 72.42(2) . 2_464 ? O11B CaM2 O21A 86.33(2) 4_656 2_464 ? O11A CaM2 O21A 86.33(2) 4_656 2_464 ? O11A CaM2 O21A 72.42(2) . 2_464 ? O21B CaM2 O21A 0.00(3) 2_464 2_464 ? O11B CaM2 O21B 72.42(2) 4_656 3_666 ? O11A CaM2 O21B 72.42(2) 4_656 3_666 ? O11A CaM2 O21B 86.33(2) . 3_666 ? O21B CaM2 O21B 153.31(3) 2_464 3_666 ? O21A CaM2 O21B 153.31(3) 2_464 3_666 ? O11B CaM2 O21A 72.42(2) 4_656 3_666 ? O11A CaM2 O21A 72.42(2) 4_656 3_666 ? O11A CaM2 O21A 86.33(2) . 3_666 ? O21B CaM2 O21A 153.31(3) 2_464 3_666 ? O21A CaM2 O21A 153.31(3) 2_464 3_666 ? O21B CaM2 O21A 0.00(3) 3_666 3_666 ? O11B CaM2 O32B 132.64(2) 4_656 3_666 ? O11A CaM2 O32B 132.64(2) 4_656 3_666 ? O11A CaM2 O32B 119.55(2) . 3_666 ? O21B CaM2 O32B 140.13(2) 2_464 3_666 ? O21A CaM2 O32B 140.13(2) 2_464 3_666 ? O21B CaM2 O32B 64.74(2) 3_666 3_666 ? O21A CaM2 O32B 64.74(2) 3_666 3_666 ? O11B CaM2 O32A 132.64(2) 4_656 3_666 ? O11A CaM2 O32A 132.64(2) 4_656 3_666 ? O11A CaM2 O32A 119.55(2) . 3_666 ? O21B CaM2 O32A 140.13(2) 2_464 3_666 ? O21A CaM2 O32A 140.13(2) 2_464 3_666 ? O21B CaM2 O32A 64.74(2) 3_666 3_666 ? O21A CaM2 O32A 64.74(2) 3_666 3_666 ? O32B CaM2 O32A 0.00(3) 3_666 3_666 ? O11B CaM2 O32B 119.55(2) 4_656 2_464 ? O11A CaM2 O32B 119.55(2) 4_656 2_464 ? O11A CaM2 O32B 132.64(2) . 2_464 ? O21B CaM2 O32B 64.74(2) 2_464 2_464 ? O21A CaM2 O32B 64.74(2) 2_464 2_464 ? O21B CaM2 O32B 140.13(2) 3_666 2_464 ? O21A CaM2 O32B 140.13(2) 3_666 2_464 ? O32B CaM2 O32B 84.84(3) 3_666 2_464 ? O32A CaM2 O32B 84.84(3) 3_666 2_464 ? O11B CaM2 O32A 119.55(2) 4_656 2_464 ? O11A CaM2 O32A 119.55(2) 4_656 2_464 ? O11A CaM2 O32A 132.64(2) . 2_464 ? O21B CaM2 O32A 64.74(2) 2_464 2_464 ? O21A CaM2 O32A 64.74(2) 2_464 2_464 ? O21B CaM2 O32A 140.13(2) 3_666 2_464 ? O21A CaM2 O32A 140.13(2) 3_666 2_464 ? O32B CaM2 O32A 84.84(3) 3_666 2_464 ? O32A CaM2 O32A 84.84(3) 3_666 2_464 ? O32B CaM2 O32A 0.00(3) 2_464 2_464 ? O11B CaM2 O31B 88.948(19) 4_656 2_465 ? O11A CaM2 O31B 88.948(19) 4_656 2_465 ? O11A CaM2 O31B 162.53(2) . 2_465 ? O21B CaM2 O31B 114.27(2) 2_464 2_465 ? O21A CaM2 O31B 114.27(2) 2_464 2_465 ? O21B CaM2 O31B 82.03(2) 3_666 2_465 ? O21A CaM2 O31B 82.03(2) 3_666 2_465 ? O32B CaM2 O31B 66.62(2) 3_666 2_465 ? O32A CaM2 O31B 66.62(2) 3_666 2_465 ? O32B CaM2 O31B 61.698(19) 2_464 2_465 ? O32A CaM2 O31B 61.698(19) 2_464 2_465 ? O11B CaM2 O31A 88.948(19) 4_656 2_465 ? O11A CaM2 O31A 88.948(19) 4_656 2_465 ? O11A CaM2 O31A 162.53(2) . 2_465 ? O21B CaM2 O31A 114.27(2) 2_464 2_465 ? O21A CaM2 O31A 114.27(2) 2_464 2_465 ? O21B CaM2 O31A 82.03(2) 3_666 2_465 ? O21A CaM2 O31A 82.03(2) 3_666 2_465 ? O32B CaM2 O31A 66.62(2) 3_666 2_465 ? O32A CaM2 O31A 66.62(2) 3_666 2_465 ? O32B CaM2 O31A 61.698(19) 2_464 2_465 ? O32A CaM2 O31A 61.698(19) 2_464 2_465 ? O31B CaM2 O31A 0.000(19) 2_465 2_465 ? O11B CaM2 O31B 162.53(2) 4_656 3_665 ? O11A CaM2 O31B 162.53(2) 4_656 3_665 ? O11A CaM2 O31B 88.948(19) . 3_665 ? O21B CaM2 O31B 82.03(2) 2_464 3_665 ? O21A CaM2 O31B 82.03(2) 2_464 3_665 ? O21B CaM2 O31B 114.27(2) 3_666 3_665 ? O21A CaM2 O31B 114.27(2) 3_666 3_665 ? O32B CaM2 O31B 61.698(19) 3_666 3_665 ? O32A CaM2 O31B 61.698(19) 3_666 3_665 ? O32B CaM2 O31B 66.62(2) 2_464 3_665 ? O32A CaM2 O31B 66.62(2) 2_464 3_665 ? O31B CaM2 O31B 107.69(3) 2_465 3_665 ? O31A CaM2 O31B 107.69(3) 2_465 3_665 ? O11B CaM2 O31A 162.53(2) 4_656 3_665 ? O11A CaM2 O31A 162.53(2) 4_656 3_665 ? O11A CaM2 O31A 88.948(19) . 3_665 ? O21B CaM2 O31A 82.03(2) 2_464 3_665 ? O21A CaM2 O31A 82.03(2) 2_464 3_665 ? O21B CaM2 O31A 114.27(2) 3_666 3_665 ? O21A CaM2 O31A 114.27(2) 3_666 3_665 ? O32B CaM2 O31A 61.698(19) 3_666 3_665 ? O32A CaM2 O31A 61.698(19) 3_666 3_665 ? O32B CaM2 O31A 66.62(2) 2_464 3_665 ? O32A CaM2 O31A 66.62(2) 2_464 3_665 ? O31B CaM2 O31A 107.69(3) 2_465 3_665 ? O31A CaM2 O31A 107.69(3) 2_465 3_665 ? O31B CaM2 O31A 0.00(3) 3_665 3_665 ? O11B CaM2 SiA2 101.842(16) 4_656 3_666 ? O11A CaM2 SiA2 101.842(16) 4_656 3_666 ? O11A CaM2 SiA2 104.684(16) . 3_666 ? O21B CaM2 SiA2 170.454(17) 2_464 3_666 ? O21A CaM2 SiA2 170.454(17) 2_464 3_666 ? O21B CaM2 SiA2 31.502(15) 3_666 3_666 ? O21A CaM2 SiA2 31.502(15) 3_666 3_666 ? O32B CaM2 SiA2 33.247(14) 3_666 3_666 ? O32A CaM2 SiA2 33.247(14) 3_666 3_666 ? O32B CaM2 SiA2 114.16(2) 2_464 3_666 ? O32A CaM2 SiA2 114.16(2) 2_464 3_666 ? O31B CaM2 SiA2 71.240(14) 2_465 3_666 ? O31A CaM2 SiA2 71.240(14) 2_465 3_666 ? O31B CaM2 SiA2 88.871(15) 3_665 3_666 ? O31A CaM2 SiA2 88.871(15) 3_665 3_666 ? O11B CaM2 SiA1 101.842(16) 4_656 3_666 ? O11A CaM2 SiA1 101.842(16) 4_656 3_666 ? O11A CaM2 SiA1 104.684(16) . 3_666 ? O21B CaM2 SiA1 170.454(17) 2_464 3_666 ? O21A CaM2 SiA1 170.454(17) 2_464 3_666 ? O21B CaM2 SiA1 31.502(15) 3_666 3_666 ? O21A CaM2 SiA1 31.502(15) 3_666 3_666 ? O32B CaM2 SiA1 33.247(14) 3_666 3_666 ? O32A CaM2 SiA1 33.247(14) 3_666 3_666 ? O32B CaM2 SiA1 114.16(2) 2_464 3_666 ? O32A CaM2 SiA1 114.16(2) 2_464 3_666 ? O31B CaM2 SiA1 71.240(14) 2_465 3_666 ? O31A CaM2 SiA1 71.240(14) 2_465 3_666 ? O31B CaM2 SiA1 88.871(15) 3_665 3_666 ? O31A CaM2 SiA1 88.871(15) 3_665 3_666 ? SiA2 CaM2 SiA1 0.000(6) 3_666 3_666 ? O11B CaM2 SiA2 104.684(16) 4_656 2_464 ? O11A CaM2 SiA2 104.684(16) 4_656 2_464 ? O11A CaM2 SiA2 101.842(16) . 2_464 ? O21B CaM2 SiA2 31.502(15) 2_464 2_464 ? O21A CaM2 SiA2 31.502(15) 2_464 2_464 ? O21B CaM2 SiA2 170.454(17) 3_666 2_464 ? O21A CaM2 SiA2 170.454(17) 3_666 2_464 ? O32B CaM2 SiA2 114.16(2) 3_666 2_464 ? O32A CaM2 SiA2 114.16(2) 3_666 2_464 ? O32B CaM2 SiA2 33.247(14) 2_464 2_464 ? O32A CaM2 SiA2 33.247(14) 2_464 2_464 ? O31B CaM2 SiA2 88.871(15) 2_465 2_464 ? O31A CaM2 SiA2 88.871(15) 2_465 2_464 ? O31B CaM2 SiA2 71.240(14) 3_665 2_464 ? O31A CaM2 SiA2 71.240(14) 3_665 2_464 ? SiA2 CaM2 SiA2 146.373(17) 3_666 2_464 ? SiA1 CaM2 SiA2 146.373(17) 3_666 2_464 ? O11B CaM2 SiA1 104.684(16) 4_656 2_464 ? O11A CaM2 SiA1 104.684(16) 4_656 2_464 ? O11A CaM2 SiA1 101.842(16) . 2_464 ? O21B CaM2 SiA1 31.502(15) 2_464 2_464 ? O21A CaM2 SiA1 31.502(15) 2_464 2_464 ? O21B CaM2 SiA1 170.454(17) 3_666 2_464 ? O21A CaM2 SiA1 170.454(17) 3_666 2_464 ? O32B CaM2 SiA1 114.16(2) 3_666 2_464 ? O32A CaM2 SiA1 114.16(2) 3_666 2_464 ? O32B CaM2 SiA1 33.247(14) 2_464 2_464 ? O32A CaM2 SiA1 33.247(14) 2_464 2_464 ? O31B CaM2 SiA1 88.871(15) 2_465 2_464 ? O31A CaM2 SiA1 88.871(15) 2_465 2_464 ? O31B CaM2 SiA1 71.240(14) 3_665 2_464 ? O31A CaM2 SiA1 71.240(14) 3_665 2_464 ? SiA2 CaM2 SiA1 146.373(17) 3_666 2_464 ? SiA1 CaM2 SiA1 146.373(17) 3_666 2_464 ? SiA2 CaM2 SiA1 0.000(11) 2_464 2_464 ? O11B CaM2 Cr11 84.438(19) 4_656 1_554 ? O11A CaM2 Cr11 84.438(19) 4_656 1_554 ? O11A CaM2 Cr11 37.173(16) . 1_554 ? O21B CaM2 Cr11 36.073(15) 2_464 1_554 ? O21A CaM2 Cr11 36.073(15) 2_464 1_554 ? O21B CaM2 Cr11 123.24(2) 3_666 1_554 ? O21A CaM2 Cr11 123.24(2) 3_666 1_554 ? O32B CaM2 Cr11 136.019(14) 3_666 1_554 ? O32A CaM2 Cr11 136.019(14) 3_666 1_554 ? O32B CaM2 Cr11 96.462(14) 2_464 1_554 ? O32A CaM2 Cr11 96.462(14) 2_464 1_554 ? O31B CaM2 Cr11 149.849(12) 2_465 1_554 ? O31A CaM2 Cr11 149.849(12) 2_465 1_554 ? O31B CaM2 Cr11 78.481(13) 3_665 1_554 ? O31A CaM2 Cr11 78.481(13) 3_665 1_554 ? SiA2 CaM2 Cr11 138.911(7) 3_666 1_554 ? SiA1 CaM2 Cr11 138.911(7) 3_666 1_554 ? SiA2 CaM2 Cr11 64.683(6) 2_464 1_554 ? SiA1 CaM2 Cr11 64.683(6) 2_464 1_554 ? O11B CaM2 TM11 84.438(19) 4_656 1_554 ? O11A CaM2 TM11 84.438(19) 4_656 1_554 ? O11A CaM2 TM11 37.173(16) . 1_554 ? O21B CaM2 TM11 36.073(15) 2_464 1_554 ? O21A CaM2 TM11 36.073(15) 2_464 1_554 ? O21B CaM2 TM11 123.24(2) 3_666 1_554 ? O21A CaM2 TM11 123.24(2) 3_666 1_554 ? O32B CaM2 TM11 136.019(14) 3_666 1_554 ? O32A CaM2 TM11 136.019(14) 3_666 1_554 ? O32B CaM2 TM11 96.462(14) 2_464 1_554 ? O32A CaM2 TM11 96.462(14) 2_464 1_554 ? O31B CaM2 TM11 149.849(12) 2_465 1_554 ? O31A CaM2 TM11 149.849(12) 2_465 1_554 ? O31B CaM2 TM11 78.481(13) 3_665 1_554 ? O31A CaM2 TM11 78.481(13) 3_665 1_554 ? SiA2 CaM2 TM11 138.911(7) 3_666 1_554 ? SiA1 CaM2 TM11 138.911(7) 3_666 1_554 ? SiA2 CaM2 TM11 64.683(6) 2_464 1_554 ? SiA1 CaM2 TM11 64.683(6) 2_464 1_554 ? Cr11 CaM2 TM11 0.0 1_554 1_554 ? O11B CaM2 AM11 84.438(19) 4_656 1_554 ? O11A CaM2 AM11 84.438(19) 4_656 1_554 ? O11A CaM2 AM11 37.173(16) . 1_554 ? O21B CaM2 AM11 36.073(15) 2_464 1_554 ? O21A CaM2 AM11 36.073(15) 2_464 1_554 ? O21B CaM2 AM11 123.24(2) 3_666 1_554 ? O21A CaM2 AM11 123.24(2) 3_666 1_554 ? O32B CaM2 AM11 136.019(14) 3_666 1_554 ? O32A CaM2 AM11 136.019(14) 3_666 1_554 ? O32B CaM2 AM11 96.462(14) 2_464 1_554 ? O32A CaM2 AM11 96.462(14) 2_464 1_554 ? O31B CaM2 AM11 149.849(12) 2_465 1_554 ? O31A CaM2 AM11 149.849(12) 2_465 1_554 ? O31B CaM2 AM11 78.481(13) 3_665 1_554 ? O31A CaM2 AM11 78.481(13) 3_665 1_554 ? SiA2 CaM2 AM11 138.911(7) 3_666 1_554 ? SiA1 CaM2 AM11 138.911(7) 3_666 1_554 ? SiA2 CaM2 AM11 64.683(6) 2_464 1_554 ? SiA1 CaM2 AM11 64.683(6) 2_464 1_554 ? Cr11 CaM2 AM11 0.0 1_554 1_554 ? TM11 CaM2 AM11 0.0 1_554 1_554 ? O11B CaM2 FM11 84.438(19) 4_656 1_554 ? O11A CaM2 FM11 84.438(19) 4_656 1_554 ? O11A CaM2 FM11 37.173(16) . 1_554 ? O21B CaM2 FM11 36.073(15) 2_464 1_554 ? O21A CaM2 FM11 36.073(15) 2_464 1_554 ? O21B CaM2 FM11 123.24(2) 3_666 1_554 ? O21A CaM2 FM11 123.24(2) 3_666 1_554 ? O32B CaM2 FM11 136.019(14) 3_666 1_554 ? O32A CaM2 FM11 136.019(14) 3_666 1_554 ? O32B CaM2 FM11 96.462(14) 2_464 1_554 ? O32A CaM2 FM11 96.462(14) 2_464 1_554 ? O31B CaM2 FM11 149.849(12) 2_465 1_554 ? O31A CaM2 FM11 149.849(12) 2_465 1_554 ? O31B CaM2 FM11 78.481(13) 3_665 1_554 ? O31A CaM2 FM11 78.481(13) 3_665 1_554 ? SiA2 CaM2 FM11 138.911(7) 3_666 1_554 ? SiA1 CaM2 FM11 138.911(7) 3_666 1_554 ? SiA2 CaM2 FM11 64.683(6) 2_464 1_554 ? SiA1 CaM2 FM11 64.683(6) 2_464 1_554 ? Cr11 CaM2 FM11 0.0 1_554 1_554 ? TM11 CaM2 FM11 0.0 1_554 1_554 ? AM11 CaM2 FM11 0.0 1_554 1_554 ? O11B CaM2 MM11 84.438(19) 4_656 1_554 ? O11A CaM2 MM11 84.438(19) 4_656 1_554 ? O11A CaM2 MM11 37.173(16) . 1_554 ? O21B CaM2 MM11 36.073(15) 2_464 1_554 ? O21A CaM2 MM11 36.073(15) 2_464 1_554 ? O21B CaM2 MM11 123.24(2) 3_666 1_554 ? O21A CaM2 MM11 123.24(2) 3_666 1_554 ? O32B CaM2 MM11 136.019(14) 3_666 1_554 ? O32A CaM2 MM11 136.019(14) 3_666 1_554 ? O32B CaM2 MM11 96.462(14) 2_464 1_554 ? O32A CaM2 MM11 96.462(14) 2_464 1_554 ? O31B CaM2 MM11 149.849(12) 2_465 1_554 ? O31A CaM2 MM11 149.849(12) 2_465 1_554 ? O31B CaM2 MM11 78.481(13) 3_665 1_554 ? O31A CaM2 MM11 78.481(13) 3_665 1_554 ? SiA2 CaM2 MM11 138.911(7) 3_666 1_554 ? SiA1 CaM2 MM11 138.911(7) 3_666 1_554 ? SiA2 CaM2 MM11 64.683(6) 2_464 1_554 ? SiA1 CaM2 MM11 64.683(6) 2_464 1_554 ? Cr11 CaM2 MM11 0.0 1_554 1_554 ? TM11 CaM2 MM11 0.0 1_554 1_554 ? AM11 CaM2 MM11 0.0 1_554 1_554 ? FM11 CaM2 MM11 0.0 1_554 1_554 ? O11B CaM2 MM11 37.173(16) 4_656 . ? O11A CaM2 MM11 37.173(16) 4_656 . ? O11A CaM2 MM11 84.438(19) . . ? O21B CaM2 MM11 123.24(2) 2_464 . ? O21A CaM2 MM11 123.24(2) 2_464 . ? O21B CaM2 MM11 36.073(15) 3_666 . ? O21A CaM2 MM11 36.073(15) 3_666 . ? O32B CaM2 MM11 96.462(14) 3_666 . ? O32A CaM2 MM11 96.462(14) 3_666 . ? O32B CaM2 MM11 136.019(14) 2_464 . ? O32A CaM2 MM11 136.019(14) 2_464 . ? O31B CaM2 MM11 78.481(13) 2_465 . ? O31A CaM2 MM11 78.481(13) 2_465 . ? O31B CaM2 MM11 149.849(12) 3_665 . ? O31A CaM2 MM11 149.849(12) 3_665 . ? SiA2 CaM2 MM11 64.683(6) 3_666 . ? SiA1 CaM2 MM11 64.683(6) 3_666 . ? SiA2 CaM2 MM11 138.911(7) 2_464 . ? SiA1 CaM2 MM11 138.911(7) 2_464 . ? Cr11 CaM2 MM11 111.388(16) 1_554 . ? TM11 CaM2 MM11 111.388(16) 1_554 . ? AM11 CaM2 MM11 111.388(16) 1_554 . ? FM11 CaM2 MM11 111.388(16) 1_554 . ? MM11 CaM2 MM11 111.388(16) 1_554 . ? O11B CaM2 AlB 161.613(15) 4_656 3_666 ? O11A CaM2 AlB 161.613(15) 4_656 3_666 ? O11A CaM2 AlB 106.701(15) . 3_666 ? O21B CaM2 AlB 111.810(17) 2_464 3_666 ? O21A CaM2 AlB 111.810(17) 2_464 3_666 ? O21B CaM2 AlB 89.335(16) 3_666 3_666 ? O21A CaM2 AlB 89.335(16) 3_666 3_666 ? O32B CaM2 AlB 30.356(14) 3_666 3_666 ? O32A CaM2 AlB 30.356(14) 3_666 3_666 ? O32B CaM2 AlB 73.251(18) 2_464 3_666 ? O32A CaM2 AlB 73.251(18) 2_464 3_666 ? O31B CaM2 AlB 86.221(17) 2_465 3_666 ? O31A CaM2 AlB 86.221(17) 2_465 3_666 ? O31B CaM2 AlB 31.348(13) 3_665 3_666 ? O31A CaM2 AlB 31.348(13) 3_665 3_666 ? SiA2 CaM2 AlB 59.824(8) 3_666 3_666 ? SiA1 CaM2 AlB 59.824(8) 3_666 3_666 ? SiA2 CaM2 AlB 92.959(10) 2_464 3_666 ? SiA1 CaM2 AlB 92.959(10) 2_464 3_666 ? Cr11 CaM2 AlB 108.247(6) 1_554 3_666 ? TM11 CaM2 AlB 108.247(6) 1_554 3_666 ? AM11 CaM2 AlB 108.247(6) 1_554 3_666 ? FM11 CaM2 AlB 108.247(6) 1_554 3_666 ? MM11 CaM2 AlB 108.247(6) 1_554 3_666 ? MM11 CaM2 AlB 124.453(6) . 3_666 ? O11B CaM2 SiB1 161.613(15) 4_656 3_666 ? O11A CaM2 SiB1 161.613(15) 4_656 3_666 ? O11A CaM2 SiB1 106.701(15) . 3_666 ? O21B CaM2 SiB1 111.810(17) 2_464 3_666 ? O21A CaM2 SiB1 111.810(17) 2_464 3_666 ? O21B CaM2 SiB1 89.335(16) 3_666 3_666 ? O21A CaM2 SiB1 89.335(16) 3_666 3_666 ? O32B CaM2 SiB1 30.356(14) 3_666 3_666 ? O32A CaM2 SiB1 30.356(14) 3_666 3_666 ? O32B CaM2 SiB1 73.251(18) 2_464 3_666 ? O32A CaM2 SiB1 73.251(18) 2_464 3_666 ? O31B CaM2 SiB1 86.221(17) 2_465 3_666 ? O31A CaM2 SiB1 86.221(17) 2_465 3_666 ? O31B CaM2 SiB1 31.348(13) 3_665 3_666 ? O31A CaM2 SiB1 31.348(13) 3_665 3_666 ? SiA2 CaM2 SiB1 59.824(8) 3_666 3_666 ? SiA1 CaM2 SiB1 59.824(8) 3_666 3_666 ? SiA2 CaM2 SiB1 92.959(10) 2_464 3_666 ? SiA1 CaM2 SiB1 92.959(10) 2_464 3_666 ? Cr11 CaM2 SiB1 108.247(6) 1_554 3_666 ? TM11 CaM2 SiB1 108.247(6) 1_554 3_666 ? AM11 CaM2 SiB1 108.247(6) 1_554 3_666 ? FM11 CaM2 SiB1 108.247(6) 1_554 3_666 ? MM11 CaM2 SiB1 108.247(6) 1_554 3_666 ? MM11 CaM2 SiB1 124.453(6) . 3_666 ? AlB CaM2 SiB1 0.000(5) 3_666 3_666 ? O11B CaM2 AlB 106.701(15) 4_656 2_464 ? O11A CaM2 AlB 106.701(15) 4_656 2_464 ? O11A CaM2 AlB 161.613(15) . 2_464 ? O21B CaM2 AlB 89.335(16) 2_464 2_464 ? O21A CaM2 AlB 89.335(16) 2_464 2_464 ? O21B CaM2 AlB 111.810(17) 3_666 2_464 ? O21A CaM2 AlB 111.810(17) 3_666 2_464 ? O32B CaM2 AlB 73.251(18) 3_666 2_464 ? O32A CaM2 AlB 73.251(18) 3_666 2_464 ? O32B CaM2 AlB 30.356(14) 2_464 2_464 ? O32A CaM2 AlB 30.356(14) 2_464 2_464 ? O31B CaM2 AlB 31.348(13) 2_465 2_464 ? O31A CaM2 AlB 31.348(13) 2_465 2_464 ? O31B CaM2 AlB 86.221(17) 3_665 2_464 ? O31A CaM2 AlB 86.221(17) 3_665 2_464 ? SiA2 CaM2 AlB 92.959(10) 3_666 2_464 ? SiA1 CaM2 AlB 92.959(10) 3_666 2_464 ? SiA2 CaM2 AlB 59.824(8) 2_464 2_464 ? SiA1 CaM2 AlB 59.824(8) 2_464 2_464 ? Cr11 CaM2 AlB 124.453(6) 1_554 2_464 ? TM11 CaM2 AlB 124.453(6) 1_554 2_464 ? AM11 CaM2 AlB 124.453(6) 1_554 2_464 ? FM11 CaM2 AlB 124.453(6) 1_554 2_464 ? MM11 CaM2 AlB 124.453(6) 1_554 2_464 ? MM11 CaM2 AlB 108.247(6) . 2_464 ? AlB CaM2 AlB 77.542(13) 3_666 2_464 ? SiB1 CaM2 AlB 77.542(13) 3_666 2_464 ? O11B CaM2 SiB1 106.701(15) 4_656 2_464 ? O11A CaM2 SiB1 106.701(15) 4_656 2_464 ? O11A CaM2 SiB1 161.613(15) . 2_464 ? O21B CaM2 SiB1 89.335(16) 2_464 2_464 ? O21A CaM2 SiB1 89.335(16) 2_464 2_464 ? O21B CaM2 SiB1 111.810(17) 3_666 2_464 ? O21A CaM2 SiB1 111.810(17) 3_666 2_464 ? O32B CaM2 SiB1 73.251(18) 3_666 2_464 ? O32A CaM2 SiB1 73.251(18) 3_666 2_464 ? O32B CaM2 SiB1 30.356(14) 2_464 2_464 ? O32A CaM2 SiB1 30.356(14) 2_464 2_464 ? O31B CaM2 SiB1 31.348(13) 2_465 2_464 ? O31A CaM2 SiB1 31.348(13) 2_465 2_464 ? O31B CaM2 SiB1 86.221(17) 3_665 2_464 ? O31A CaM2 SiB1 86.221(17) 3_665 2_464 ? SiA2 CaM2 SiB1 92.959(10) 3_666 2_464 ? SiA1 CaM2 SiB1 92.959(10) 3_666 2_464 ? SiA2 CaM2 SiB1 59.824(8) 2_464 2_464 ? SiA1 CaM2 SiB1 59.824(8) 2_464 2_464 ? Cr11 CaM2 SiB1 124.453(6) 1_554 2_464 ? TM11 CaM2 SiB1 124.453(6) 1_554 2_464 ? AM11 CaM2 SiB1 124.453(6) 1_554 2_464 ? FM11 CaM2 SiB1 124.453(6) 1_554 2_464 ? MM11 CaM2 SiB1 124.453(6) 1_554 2_464 ? MM11 CaM2 SiB1 108.247(6) . 2_464 ? AlB CaM2 SiB1 77.542(13) 3_666 2_464 ? SiB1 CaM2 SiB1 77.542(13) 3_666 2_464 ? AlB CaM2 SiB1 0.000(9) 2_464 2_464 ? O11B CaM2 SiA2 26.708(15) 4_656 4_656 ? O11A CaM2 SiA2 26.708(15) 4_656 4_656 ? O11A CaM2 SiA2 92.319(19) . 4_656 ? O21B CaM2 SiA2 71.954(16) 2_464 4_656 ? O21A CaM2 SiA2 71.954(16) 2_464 4_656 ? O21B CaM2 SiA2 93.526(17) 3_666 4_656 ? O21A CaM2 SiA2 93.526(17) 3_666 4_656 ? O32B CaM2 SiA2 138.087(15) 3_666 4_656 ? O32A CaM2 SiA2 138.087(15) 3_666 4_656 ? O32B CaM2 SiA2 92.859(15) 2_464 4_656 ? O32A CaM2 SiA2 92.859(15) 2_464 4_656 ? O31B CaM2 SiA2 75.523(13) 2_465 4_656 ? O31A CaM2 SiA2 75.523(13) 2_465 4_656 ? O31B CaM2 SiA2 152.199(13) 3_665 4_656 ? O31A CaM2 SiA2 152.199(13) 3_665 4_656 ? SiA2 CaM2 SiA2 117.497(8) 3_666 4_656 ? SiA1 CaM2 SiA2 117.497(8) 3_666 4_656 ? SiA2 CaM2 SiA2 81.341(7) 2_464 4_656 ? SiA1 CaM2 SiA2 81.341(7) 2_464 4_656 ? Cr11 CaM2 SiA2 85.868(9) 1_554 4_656 ? TM11 CaM2 SiA2 85.868(9) 1_554 4_656 ? AM11 CaM2 SiA2 85.868(9) 1_554 4_656 ? FM11 CaM2 SiA2 85.868(9) 1_554 4_656 ? MM11 CaM2 SiA2 85.868(9) 1_554 4_656 ? MM11 CaM2 SiA2 57.711(6) . 4_656 ? AlB CaM2 SiA2 160.915(12) 3_666 4_656 ? SiB1 CaM2 SiA2 160.915(12) 3_666 4_656 ? AlB CaM2 SiA2 83.891(6) 2_464 4_656 ? SiB1 CaM2 SiA2 83.891(6) 2_464 4_656 ? O11B CaM2 SiA1 26.708(15) 4_656 4_656 ? O11A CaM2 SiA1 26.708(15) 4_656 4_656 ? O11A CaM2 SiA1 92.319(19) . 4_656 ? O21B CaM2 SiA1 71.954(16) 2_464 4_656 ? O21A CaM2 SiA1 71.954(16) 2_464 4_656 ? O21B CaM2 SiA1 93.526(17) 3_666 4_656 ? O21A CaM2 SiA1 93.526(17) 3_666 4_656 ? O32B CaM2 SiA1 138.087(15) 3_666 4_656 ? O32A CaM2 SiA1 138.087(15) 3_666 4_656 ? O32B CaM2 SiA1 92.859(15) 2_464 4_656 ? O32A CaM2 SiA1 92.859(15) 2_464 4_656 ? O31B CaM2 SiA1 75.523(13) 2_465 4_656 ? O31A CaM2 SiA1 75.523(13) 2_465 4_656 ? O31B CaM2 SiA1 152.199(13) 3_665 4_656 ? O31A CaM2 SiA1 152.199(13) 3_665 4_656 ? SiA2 CaM2 SiA1 117.497(8) 3_666 4_656 ? SiA1 CaM2 SiA1 117.497(8) 3_666 4_656 ? SiA2 CaM2 SiA1 81.341(7) 2_464 4_656 ? SiA1 CaM2 SiA1 81.341(7) 2_464 4_656 ? Cr11 CaM2 SiA1 85.868(9) 1_554 4_656 ? TM11 CaM2 SiA1 85.868(9) 1_554 4_656 ? AM11 CaM2 SiA1 85.868(9) 1_554 4_656 ? FM11 CaM2 SiA1 85.868(9) 1_554 4_656 ? MM11 CaM2 SiA1 85.868(9) 1_554 4_656 ? MM11 CaM2 SiA1 57.711(6) . 4_656 ? AlB CaM2 SiA1 160.915(12) 3_666 4_656 ? SiB1 CaM2 SiA1 160.915(12) 3_666 4_656 ? AlB CaM2 SiA1 83.891(6) 2_464 4_656 ? SiB1 CaM2 SiA1 83.891(6) 2_464 4_656 ? SiA2 CaM2 SiA1 0.000(4) 4_656 4_656 ? O11B CaM2 SiA1 92.319(19) 4_656 . ? O11A CaM2 SiA1 92.319(19) 4_656 . ? O11A CaM2 SiA1 26.709(15) . . ? O21B CaM2 SiA1 93.526(17) 2_464 . ? O21A CaM2 SiA1 93.526(17) 2_464 . ? O21B CaM2 SiA1 71.954(16) 3_666 . ? O21A CaM2 SiA1 71.954(16) 3_666 . ? O32B CaM2 SiA1 92.859(15) 3_666 . ? O32A CaM2 SiA1 92.859(15) 3_666 . ? O32B CaM2 SiA1 138.087(15) 2_464 . ? O32A CaM2 SiA1 138.087(15) 2_464 . ? O31B CaM2 SiA1 152.199(13) 2_465 . ? O31A CaM2 SiA1 152.199(13) 2_465 . ? O31B CaM2 SiA1 75.523(13) 3_665 . ? O31A CaM2 SiA1 75.523(13) 3_665 . ? SiA2 CaM2 SiA1 81.341(7) 3_666 . ? SiA1 CaM2 SiA1 81.341(7) 3_666 . ? SiA2 CaM2 SiA1 117.497(8) 2_464 . ? SiA1 CaM2 SiA1 117.497(8) 2_464 . ? Cr11 CaM2 SiA1 57.711(6) 1_554 . ? TM11 CaM2 SiA1 57.711(6) 1_554 . ? AM11 CaM2 SiA1 57.711(6) 1_554 . ? FM11 CaM2 SiA1 57.711(6) 1_554 . ? MM11 CaM2 SiA1 57.711(6) 1_554 . ? MM11 CaM2 SiA1 85.868(9) . . ? AlB CaM2 SiA1 83.891(6) 3_666 . ? SiB1 CaM2 SiA1 83.891(6) 3_666 . ? AlB CaM2 SiA1 160.915(12) 2_464 . ? SiB1 CaM2 SiA1 160.915(12) 2_464 . ? SiA2 CaM2 SiA1 114.930(14) 4_656 . ? SiA1 CaM2 SiA1 114.930(14) 4_656 . ? O11B CaM2 O21B 53.233(18) 4_656 4_656 ? O11A CaM2 O21B 53.233(18) 4_656 4_656 ? O11A CaM2 O21B 115.35(2) . 4_656 ? O21B CaM2 O21B 68.69(2) 2_464 4_656 ? O21A CaM2 O21B 68.69(2) 2_464 4_656 ? O21B CaM2 O21B 108.29(2) 3_666 4_656 ? O21A CaM2 O21B 108.29(2) 3_666 4_656 ? O32B CaM2 O21B 123.627(19) 3_666 4_656 ? O32A CaM2 O21B 123.627(19) 3_666 4_656 ? O32B CaM2 O21B 66.723(17) 2_464 4_656 ? O32A CaM2 O21B 66.723(17) 2_464 4_656 ? O31B CaM2 O21B 57.126(16) 2_465 4_656 ? O31A CaM2 O21B 57.126(16) 2_465 4_656 ? O31B CaM2 O21B 132.032(18) 3_665 4_656 ? O31A CaM2 O21B 132.032(18) 3_665 4_656 ? SiA2 CaM2 O21B 120.175(12) 3_666 4_656 ? SiA1 CaM2 O21B 120.175(12) 3_666 4_656 ? SiA2 CaM2 O21B 63.864(11) 2_464 4_656 ? SiA1 CaM2 O21B 63.864(11) 2_464 4_656 ? Cr11 CaM2 O21B 96.301(12) 1_554 4_656 ? TM11 CaM2 O21B 96.301(12) 1_554 4_656 ? AM11 CaM2 O21B 96.301(12) 1_554 4_656 ? FM11 CaM2 O21B 96.301(12) 1_554 4_656 ? MM11 CaM2 O21B 96.301(12) 1_554 4_656 ? MM11 CaM2 O21B 76.653(11) . 4_656 ? AlB CaM2 O21B 134.902(16) 3_666 4_656 ? SiB1 CaM2 O21B 134.902(16) 3_666 4_656 ? AlB CaM2 O21B 57.426(11) 2_464 4_656 ? SiB1 CaM2 O21B 57.426(11) 2_464 4_656 ? SiA2 CaM2 O21B 27.257(11) 4_656 4_656 ? SiA1 CaM2 O21B 27.257(11) 4_656 4_656 ? SiA1 CaM2 O21B 140.661(16) . 4_656 ? O11B CaM2 O21A 53.233(18) 4_656 4_656 ? O11A CaM2 O21A 53.233(18) 4_656 4_656 ? O11A CaM2 O21A 115.35(2) . 4_656 ? O21B CaM2 O21A 68.69(2) 2_464 4_656 ? O21A CaM2 O21A 68.69(2) 2_464 4_656 ? O21B CaM2 O21A 108.29(2) 3_666 4_656 ? O21A CaM2 O21A 108.29(2) 3_666 4_656 ? O32B CaM2 O21A 123.627(19) 3_666 4_656 ? O32A CaM2 O21A 123.627(19) 3_666 4_656 ? O32B CaM2 O21A 66.723(17) 2_464 4_656 ? O32A CaM2 O21A 66.723(17) 2_464 4_656 ? O31B CaM2 O21A 57.126(16) 2_465 4_656 ? O31A CaM2 O21A 57.126(16) 2_465 4_656 ? O31B CaM2 O21A 132.032(18) 3_665 4_656 ? O31A CaM2 O21A 132.032(18) 3_665 4_656 ? SiA2 CaM2 O21A 120.175(12) 3_666 4_656 ? SiA1 CaM2 O21A 120.175(12) 3_666 4_656 ? SiA2 CaM2 O21A 63.864(11) 2_464 4_656 ? SiA1 CaM2 O21A 63.864(11) 2_464 4_656 ? Cr11 CaM2 O21A 96.301(12) 1_554 4_656 ? TM11 CaM2 O21A 96.301(12) 1_554 4_656 ? AM11 CaM2 O21A 96.301(12) 1_554 4_656 ? FM11 CaM2 O21A 96.301(12) 1_554 4_656 ? MM11 CaM2 O21A 96.301(12) 1_554 4_656 ? MM11 CaM2 O21A 76.653(11) . 4_656 ? AlB CaM2 O21A 134.902(16) 3_666 4_656 ? SiB1 CaM2 O21A 134.902(16) 3_666 4_656 ? AlB CaM2 O21A 57.426(11) 2_464 4_656 ? SiB1 CaM2 O21A 57.426(11) 2_464 4_656 ? SiA2 CaM2 O21A 27.257(11) 4_656 4_656 ? SiA1 CaM2 O21A 27.257(11) 4_656 4_656 ? SiA1 CaM2 O21A 140.661(16) . 4_656 ? O21B CaM2 O21A 0.00(3) 4_656 4_656 ? O11B CaM2 O21A 115.35(2) 4_656 . ? O11A CaM2 O21A 115.35(2) 4_656 . ? O11A CaM2 O21A 53.233(18) . . ? O21B CaM2 O21A 108.29(2) 2_464 . ? O21A CaM2 O21A 108.29(2) 2_464 . ? O21B CaM2 O21A 68.69(2) 3_666 . ? O21A CaM2 O21A 68.69(2) 3_666 . ? O32B CaM2 O21A 66.723(17) 3_666 . ? O32A CaM2 O21A 66.723(17) 3_666 . ? O32B CaM2 O21A 123.627(19) 2_464 . ? O32A CaM2 O21A 123.627(19) 2_464 . ? O31B CaM2 O21A 132.032(18) 2_465 . ? O31A CaM2 O21A 132.032(18) 2_465 . ? O31B CaM2 O21A 57.126(16) 3_665 . ? O31A CaM2 O21A 57.126(16) 3_665 . ? SiA2 CaM2 O21A 63.864(11) 3_666 . ? SiA1 CaM2 O21A 63.864(11) 3_666 . ? SiA2 CaM2 O21A 120.175(12) 2_464 . ? SiA1 CaM2 O21A 120.175(12) 2_464 . ? Cr11 CaM2 O21A 76.653(11) 1_554 . ? TM11 CaM2 O21A 76.653(11) 1_554 . ? AM11 CaM2 O21A 76.653(11) 1_554 . ? FM11 CaM2 O21A 76.653(11) 1_554 . ? MM11 CaM2 O21A 76.653(11) 1_554 . ? MM11 CaM2 O21A 96.301(12) . . ? AlB CaM2 O21A 57.426(11) 3_666 . ? SiB1 CaM2 O21A 57.426(11) 3_666 . ? AlB CaM2 O21A 134.902(16) 2_464 . ? SiB1 CaM2 O21A 134.902(16) 2_464 . ? SiA2 CaM2 O21A 140.661(16) 4_656 . ? SiA1 CaM2 O21A 140.661(16) 4_656 . ? SiA1 CaM2 O21A 27.258(11) . . ? O21B CaM2 O21A 167.67(2) 4_656 . ? O21A CaM2 O21A 167.67(2) 4_656 . ? O11B CaM2 MgM1 37.546(16) 4_656 . ? O11A CaM2 MgM1 37.546(16) 4_656 . ? O11A CaM2 MgM1 37.546(16) . . ? O21B CaM2 MgM1 76.654(17) 2_464 . ? O21A CaM2 MgM1 76.654(17) 2_464 . ? O21B CaM2 MgM1 76.655(17) 3_666 . ? O21A CaM2 MgM1 76.655(17) 3_666 . ? O32B CaM2 MgM1 137.578(15) 3_666 . ? O32A CaM2 MgM1 137.578(15) 3_666 . ? O32B CaM2 MgM1 137.578(15) 2_464 . ? O32A CaM2 MgM1 137.578(15) 2_464 . ? O31B CaM2 MgM1 126.154(14) 2_465 . ? O31A CaM2 MgM1 126.154(14) 2_465 . ? O31B CaM2 MgM1 126.154(14) 3_665 . ? O31A CaM2 MgM1 126.154(14) 3_665 . ? SiA2 CaM2 MgM1 106.814(8) 3_666 . ? SiA1 CaM2 MgM1 106.814(8) 3_666 . ? SiA2 CaM2 MgM1 106.814(8) 2_464 . ? SiA1 CaM2 MgM1 106.814(8) 2_464 . ? Cr11 CaM2 MgM1 55.694(8) 1_554 . ? TM11 CaM2 MgM1 55.694(8) 1_554 . ? AM11 CaM2 MgM1 55.694(8) 1_554 . ? FM11 CaM2 MgM1 55.694(8) 1_554 . ? MM11 CaM2 MgM1 55.694(8) 1_554 . ? MM11 CaM2 MgM1 55.694(8) . . ? AlB CaM2 MgM1 141.229(6) 3_666 . ? SiB1 CaM2 MgM1 141.229(6) 3_666 . ? AlB CaM2 MgM1 141.229(6) 2_464 . ? SiB1 CaM2 MgM1 141.229(6) 2_464 . ? SiA2 CaM2 MgM1 57.465(7) 4_656 . ? SiA1 CaM2 MgM1 57.465(7) 4_656 . ? SiA1 CaM2 MgM1 57.465(7) . . ? O21B CaM2 MgM1 83.833(12) 4_656 . ? O21A CaM2 MgM1 83.833(12) 4_656 . ? O21A CaM2 MgM1 83.833(12) . . ? O11B CaM2 O21A 115.00(2) 4_656 3_665 ? O11A CaM2 O21A 115.00(2) 4_656 3_665 ? O11A CaM2 O21A 48.363(18) . 3_665 ? O21B CaM2 O21A 52.02(2) 2_464 3_665 ? O21A CaM2 O21A 52.02(2) 2_464 3_665 ? O21B CaM2 O21A 123.02(2) 3_666 3_665 ? O21A CaM2 O21A 123.02(2) 3_666 3_665 ? O32B CaM2 O21A 104.932(17) 3_666 3_665 ? O32A CaM2 O21A 104.932(17) 3_666 3_665 ? O32B CaM2 O21A 88.137(17) 2_464 3_665 ? O32A CaM2 O21A 88.137(17) 2_464 3_665 ? O31B CaM2 O21A 148.71(2) 2_465 3_665 ? O31A CaM2 O21A 148.71(2) 2_465 3_665 ? O31B CaM2 O21A 47.576(16) 3_665 3_665 ? O31A CaM2 O21A 47.576(16) 3_665 3_665 ? SiA2 CaM2 O21A 119.127(11) 3_666 3_665 ? SiA1 CaM2 O21A 119.127(11) 3_666 3_665 ? SiA2 CaM2 O21A 66.515(11) 2_464 3_665 ? SiA1 CaM2 O21A 66.515(11) 2_464 3_665 ? Cr11 CaM2 O21A 31.683(10) 1_554 3_665 ? TM11 CaM2 O21A 31.683(10) 1_554 3_665 ? AM11 CaM2 O21A 31.683(10) 1_554 3_665 ? FM11 CaM2 O21A 31.683(10) 1_554 3_665 ? MM11 CaM2 O21A 31.683(10) 1_554 3_665 ? MM11 CaM2 O21A 132.770(16) . 3_665 ? AlB CaM2 O21A 76.572(11) 3_666 3_665 ? SiB1 CaM2 O21A 76.572(11) 3_666 3_665 ? AlB CaM2 O21A 118.037(13) 2_464 3_665 ? SiB1 CaM2 O21A 118.037(13) 2_464 3_665 ? SiA2 CaM2 O21A 116.836(13) 4_656 3_665 ? SiA1 CaM2 O21A 116.836(13) 4_656 3_665 ? SiA1 CaM2 O21A 52.013(11) . 3_665 ? O21B CaM2 O21A 120.672(17) 4_656 3_665 ? O21A CaM2 O21A 120.672(17) 4_656 3_665 ? O21A CaM2 O21A 57.119(18) . 3_665 ? MgM1 CaM2 O21A 81.228(12) . 3_665 ? O11B CaM2 O21B 115.00(2) 4_656 3_665 ? O11A CaM2 O21B 115.00(2) 4_656 3_665 ? O11A CaM2 O21B 48.363(18) . 3_665 ? O21B CaM2 O21B 52.02(2) 2_464 3_665 ? O21A CaM2 O21B 52.02(2) 2_464 3_665 ? O21B CaM2 O21B 123.02(2) 3_666 3_665 ? O21A CaM2 O21B 123.02(2) 3_666 3_665 ? O32B CaM2 O21B 104.932(17) 3_666 3_665 ? O32A CaM2 O21B 104.932(17) 3_666 3_665 ? O32B CaM2 O21B 88.137(17) 2_464 3_665 ? O32A CaM2 O21B 88.137(17) 2_464 3_665 ? O31B CaM2 O21B 148.71(2) 2_465 3_665 ? O31A CaM2 O21B 148.71(2) 2_465 3_665 ? O31B CaM2 O21B 47.576(16) 3_665 3_665 ? O31A CaM2 O21B 47.576(16) 3_665 3_665 ? SiA2 CaM2 O21B 119.127(11) 3_666 3_665 ? SiA1 CaM2 O21B 119.127(11) 3_666 3_665 ? SiA2 CaM2 O21B 66.515(11) 2_464 3_665 ? SiA1 CaM2 O21B 66.515(11) 2_464 3_665 ? Cr11 CaM2 O21B 31.683(10) 1_554 3_665 ? TM11 CaM2 O21B 31.683(10) 1_554 3_665 ? AM11 CaM2 O21B 31.683(10) 1_554 3_665 ? FM11 CaM2 O21B 31.683(10) 1_554 3_665 ? MM11 CaM2 O21B 31.683(10) 1_554 3_665 ? MM11 CaM2 O21B 132.770(16) . 3_665 ? AlB CaM2 O21B 76.572(11) 3_666 3_665 ? SiB1 CaM2 O21B 76.572(11) 3_666 3_665 ? AlB CaM2 O21B 118.037(13) 2_464 3_665 ? SiB1 CaM2 O21B 118.037(13) 2_464 3_665 ? SiA2 CaM2 O21B 116.836(13) 4_656 3_665 ? SiA1 CaM2 O21B 116.836(13) 4_656 3_665 ? SiA1 CaM2 O21B 52.013(11) . 3_665 ? O21B CaM2 O21B 120.672(17) 4_656 3_665 ? O21A CaM2 O21B 120.672(17) 4_656 3_665 ? O21A CaM2 O21B 57.119(18) . 3_665 ? MgM1 CaM2 O21B 81.228(12) . 3_665 ? O21A CaM2 O21B 0.000(8) 3_665 3_665 ? O11B CaM2 O21A 48.363(18) 4_656 2_465 ? O11A CaM2 O21A 48.363(18) 4_656 2_465 ? O11A CaM2 O21A 115.00(2) . 2_465 ? O21B CaM2 O21A 123.02(2) 2_464 2_465 ? O21A CaM2 O21A 123.02(2) 2_464 2_465 ? O21B CaM2 O21A 52.02(2) 3_666 2_465 ? O21A CaM2 O21A 52.02(2) 3_666 2_465 ? O32B CaM2 O21A 88.137(17) 3_666 2_465 ? O32A CaM2 O21A 88.137(17) 3_666 2_465 ? O32B CaM2 O21A 104.932(17) 2_464 2_465 ? O32A CaM2 O21A 104.932(17) 2_464 2_465 ? O31B CaM2 O21A 47.576(16) 2_465 2_465 ? O31A CaM2 O21A 47.576(16) 2_465 2_465 ? O31B CaM2 O21A 148.71(2) 3_665 2_465 ? O31A CaM2 O21A 148.71(2) 3_665 2_465 ? SiA2 CaM2 O21A 66.515(11) 3_666 2_465 ? SiA1 CaM2 O21A 66.515(11) 3_666 2_465 ? SiA2 CaM2 O21A 119.127(11) 2_464 2_465 ? SiA1 CaM2 O21A 119.127(11) 2_464 2_465 ? Cr11 CaM2 O21A 132.770(16) 1_554 2_465 ? TM11 CaM2 O21A 132.770(16) 1_554 2_465 ? AM11 CaM2 O21A 132.770(16) 1_554 2_465 ? FM11 CaM2 O21A 132.770(16) 1_554 2_465 ? MM11 CaM2 O21A 132.770(16) 1_554 2_465 ? MM11 CaM2 O21A 31.683(10) . 2_465 ? AlB CaM2 O21A 118.036(13) 3_666 2_465 ? SiB1 CaM2 O21A 118.036(13) 3_666 2_465 ? AlB CaM2 O21A 76.572(11) 2_464 2_465 ? SiB1 CaM2 O21A 76.572(11) 2_464 2_465 ? SiA2 CaM2 O21A 52.013(11) 4_656 2_465 ? SiA1 CaM2 O21A 52.013(11) 4_656 2_465 ? SiA1 CaM2 O21A 116.836(13) . 2_465 ? O21B CaM2 O21A 57.119(18) 4_656 2_465 ? O21A CaM2 O21A 57.119(18) 4_656 2_465 ? O21A CaM2 O21A 120.672(17) . 2_465 ? MgM1 CaM2 O21A 81.228(12) . 2_465 ? O21A CaM2 O21A 162.46(2) 3_665 2_465 ? O21B CaM2 O21A 162.46(2) 3_665 2_465 ? O11B CaM2 O21B 48.363(18) 4_656 2_465 ? O11A CaM2 O21B 48.363(18) 4_656 2_465 ? O11A CaM2 O21B 115.00(2) . 2_465 ? O21B CaM2 O21B 123.02(2) 2_464 2_465 ? O21A CaM2 O21B 123.02(2) 2_464 2_465 ? O21B CaM2 O21B 52.02(2) 3_666 2_465 ? O21A CaM2 O21B 52.02(2) 3_666 2_465 ? O32B CaM2 O21B 88.137(17) 3_666 2_465 ? O32A CaM2 O21B 88.137(17) 3_666 2_465 ? O32B CaM2 O21B 104.932(17) 2_464 2_465 ? O32A CaM2 O21B 104.932(17) 2_464 2_465 ? O31B CaM2 O21B 47.576(16) 2_465 2_465 ? O31A CaM2 O21B 47.576(16) 2_465 2_465 ? O31B CaM2 O21B 148.71(2) 3_665 2_465 ? O31A CaM2 O21B 148.71(2) 3_665 2_465 ? SiA2 CaM2 O21B 66.515(11) 3_666 2_465 ? SiA1 CaM2 O21B 66.515(11) 3_666 2_465 ? SiA2 CaM2 O21B 119.127(11) 2_464 2_465 ? SiA1 CaM2 O21B 119.127(11) 2_464 2_465 ? Cr11 CaM2 O21B 132.770(16) 1_554 2_465 ? TM11 CaM2 O21B 132.770(16) 1_554 2_465 ? AM11 CaM2 O21B 132.770(16) 1_554 2_465 ? FM11 CaM2 O21B 132.770(16) 1_554 2_465 ? MM11 CaM2 O21B 132.770(16) 1_554 2_465 ? MM11 CaM2 O21B 31.683(10) . 2_465 ? AlB CaM2 O21B 118.036(13) 3_666 2_465 ? SiB1 CaM2 O21B 118.036(13) 3_666 2_465 ? AlB CaM2 O21B 76.572(11) 2_464 2_465 ? SiB1 CaM2 O21B 76.572(11) 2_464 2_465 ? SiA2 CaM2 O21B 52.013(11) 4_656 2_465 ? SiA1 CaM2 O21B 52.013(11) 4_656 2_465 ? SiA1 CaM2 O21B 116.836(13) . 2_465 ? O21B CaM2 O21B 57.119(18) 4_656 2_465 ? O21A CaM2 O21B 57.119(18) 4_656 2_465 ? O21A CaM2 O21B 120.672(17) . 2_465 ? MgM1 CaM2 O21B 81.228(12) . 2_465 ? O21A CaM2 O21B 162.46(2) 3_665 2_465 ? O21B CaM2 O21B 162.46(2) 3_665 2_465 ? O21A CaM2 O21B 0.00(3) 2_465 2_465 ? O22B Ca21 O22A 0.000(19) 3_677 3_677 ? O22B Ca21 O22B 158.08(3) 3_677 2_474 ? O22A Ca21 O22B 158.08(3) 3_677 2_474 ? O22B Ca21 O22A 158.08(3) 3_677 2_474 ? O22A Ca21 O22A 158.08(3) 3_677 2_474 ? O22B Ca21 O22A 0.00(3) 2_474 2_474 ? O22B Ca21 O12B 83.89(2) 3_677 1_565 ? O22A Ca21 O12B 83.89(2) 3_677 1_565 ? O22B Ca21 O12B 77.84(2) 2_474 1_565 ? O22A Ca21 O12B 77.84(2) 2_474 1_565 ? O22B Ca21 O12A 83.89(2) 3_677 1_565 ? O22A Ca21 O12A 83.89(2) 3_677 1_565 ? O22B Ca21 O12A 77.84(2) 2_474 1_565 ? O22A Ca21 O12A 77.84(2) 2_474 1_565 ? O12B Ca21 O12A 0.00(3) 1_565 1_565 ? O22B Ca21 O12B 77.84(2) 3_677 4_667 ? O22A Ca21 O12B 77.84(2) 3_677 4_667 ? O22B Ca21 O12B 83.89(2) 2_474 4_667 ? O22A Ca21 O12B 83.89(2) 2_474 4_667 ? O12B Ca21 O12B 67.03(3) 1_565 4_667 ? O12A Ca21 O12B 67.03(3) 1_565 4_667 ? O22B Ca21 O12A 77.84(2) 3_677 4_667 ? O22A Ca21 O12A 77.84(2) 3_677 4_667 ? O22B Ca21 O12A 83.89(2) 2_474 4_667 ? O22A Ca21 O12A 83.89(2) 2_474 4_667 ? O12B Ca21 O12A 67.03(3) 1_565 4_667 ? O12A Ca21 O12A 67.03(3) 1_565 4_667 ? O12B Ca21 O12A 0.00(3) 4_667 4_667 ? O22B Ca21 O31B 136.98(2) 3_677 2_465 ? O22A Ca21 O31B 136.98(2) 3_677 2_465 ? O22B Ca21 O31B 63.94(2) 2_474 2_465 ? O22A Ca21 O31B 63.94(2) 2_474 2_465 ? O12B Ca21 O31B 137.53(2) 1_565 2_465 ? O12A Ca21 O31B 137.53(2) 1_565 2_465 ? O12B Ca21 O31B 122.86(2) 4_667 2_465 ? O12A Ca21 O31B 122.86(2) 4_667 2_465 ? O22B Ca21 O31A 136.98(2) 3_677 2_465 ? O22A Ca21 O31A 136.98(2) 3_677 2_465 ? O22B Ca21 O31A 63.94(2) 2_474 2_465 ? O22A Ca21 O31A 63.94(2) 2_474 2_465 ? O12B Ca21 O31A 137.53(2) 1_565 2_465 ? O12A Ca21 O31A 137.53(2) 1_565 2_465 ? O12B Ca21 O31A 122.86(2) 4_667 2_465 ? O12A Ca21 O31A 122.86(2) 4_667 2_465 ? O31B Ca21 O31A 0.00(2) 2_465 2_465 ? O22B Ca21 O31B 63.94(2) 3_677 3_666 ? O22A Ca21 O31B 63.94(2) 3_677 3_666 ? O22B Ca21 O31B 136.98(2) 2_474 3_666 ? O22A Ca21 O31B 136.98(2) 2_474 3_666 ? O12B Ca21 O31B 122.86(2) 1_565 3_666 ? O12A Ca21 O31B 122.86(2) 1_565 3_666 ? O12B Ca21 O31B 137.53(2) 4_667 3_666 ? O12A Ca21 O31B 137.53(2) 4_667 3_666 ? O31B Ca21 O31B 79.69(3) 2_465 3_666 ? O31A Ca21 O31B 79.69(3) 2_465 3_666 ? O22B Ca21 O31A 63.94(2) 3_677 3_666 ? O22A Ca21 O31A 63.94(2) 3_677 3_666 ? O22B Ca21 O31A 136.98(2) 2_474 3_666 ? O22A Ca21 O31A 136.98(2) 2_474 3_666 ? O12B Ca21 O31A 122.86(2) 1_565 3_666 ? O12A Ca21 O31A 122.86(2) 1_565 3_666 ? O12B Ca21 O31A 137.53(2) 4_667 3_666 ? O12A Ca21 O31A 137.53(2) 4_667 3_666 ? O31B Ca21 O31A 79.69(3) 2_465 3_666 ? O31A Ca21 O31A 79.69(3) 2_465 3_666 ? O31B Ca21 O31A 0.00(3) 3_666 3_666 ? O22B Ca21 O32B 83.52(2) 3_677 2_465 ? O22A Ca21 O32B 83.52(2) 3_677 2_465 ? O22B Ca21 O32B 109.99(2) 2_474 2_465 ? O22A Ca21 O32B 109.99(2) 2_474 2_465 ? O12B Ca21 O32B 159.12(2) 1_565 2_465 ? O12A Ca21 O32B 159.12(2) 1_565 2_465 ? O12B Ca21 O32B 94.020(19) 4_667 2_465 ? O12A Ca21 O32B 94.020(19) 4_667 2_465 ? O31B Ca21 O32B 59.736(18) 2_465 2_465 ? O31A Ca21 O32B 59.736(18) 2_465 2_465 ? O31B Ca21 O32B 65.105(19) 3_666 2_465 ? O31A Ca21 O32B 65.105(19) 3_666 2_465 ? O22B Ca21 O32A 83.52(2) 3_677 2_465 ? O22A Ca21 O32A 83.52(2) 3_677 2_465 ? O22B Ca21 O32A 109.99(2) 2_474 2_465 ? O22A Ca21 O32A 109.99(2) 2_474 2_465 ? O12B Ca21 O32A 159.12(2) 1_565 2_465 ? O12A Ca21 O32A 159.12(2) 1_565 2_465 ? O12B Ca21 O32A 94.020(19) 4_667 2_465 ? O12A Ca21 O32A 94.020(19) 4_667 2_465 ? O31B Ca21 O32A 59.736(18) 2_465 2_465 ? O31A Ca21 O32A 59.736(18) 2_465 2_465 ? O31B Ca21 O32A 65.105(19) 3_666 2_465 ? O31A Ca21 O32A 65.105(19) 3_666 2_465 ? O32B Ca21 O32A 0.00(3) 2_465 2_465 ? O22B Ca21 O32B 109.99(2) 3_677 3_666 ? O22A Ca21 O32B 109.99(2) 3_677 3_666 ? O22B Ca21 O32B 83.52(2) 2_474 3_666 ? O22A Ca21 O32B 83.52(2) 2_474 3_666 ? O12B Ca21 O32B 94.020(19) 1_565 3_666 ? O12A Ca21 O32B 94.020(19) 1_565 3_666 ? O12B Ca21 O32B 159.12(2) 4_667 3_666 ? O12A Ca21 O32B 159.12(2) 4_667 3_666 ? O31B Ca21 O32B 65.105(19) 2_465 3_666 ? O31A Ca21 O32B 65.105(19) 2_465 3_666 ? O31B Ca21 O32B 59.736(18) 3_666 3_666 ? O31A Ca21 O32B 59.736(18) 3_666 3_666 ? O32B Ca21 O32B 105.92(3) 2_465 3_666 ? O32A Ca21 O32B 105.92(3) 2_465 3_666 ? O22B Ca21 O32A 109.99(2) 3_677 3_666 ? O22A Ca21 O32A 109.99(2) 3_677 3_666 ? O22B Ca21 O32A 83.52(2) 2_474 3_666 ? O22A Ca21 O32A 83.52(2) 2_474 3_666 ? O12B Ca21 O32A 94.020(19) 1_565 3_666 ? O12A Ca21 O32A 94.020(19) 1_565 3_666 ? O12B Ca21 O32A 159.12(2) 4_667 3_666 ? O12A Ca21 O32A 159.12(2) 4_667 3_666 ? O31B Ca21 O32A 65.105(19) 2_465 3_666 ? O31A Ca21 O32A 65.105(19) 2_465 3_666 ? O31B Ca21 O32A 59.736(18) 3_666 3_666 ? O31A Ca21 O32A 59.736(18) 3_666 3_666 ? O32B Ca21 O32A 105.92(3) 2_465 3_666 ? O32A Ca21 O32A 105.92(3) 2_465 3_666 ? O32B Ca21 O32A 0.00(3) 3_666 3_666 ? O22B Ca21 AlB 168.846(18) 3_677 2_464 ? O22A Ca21 AlB 168.846(18) 3_677 2_464 ? O22B Ca21 AlB 30.925(15) 2_474 2_464 ? O22A Ca21 AlB 30.925(15) 2_474 2_464 ? O12B Ca21 AlB 107.089(15) 1_565 2_464 ? O12A Ca21 AlB 107.089(15) 1_565 2_464 ? O12B Ca21 AlB 104.284(15) 4_667 2_464 ? O12A Ca21 AlB 104.284(15) 4_667 2_464 ? O31B Ca21 AlB 33.020(14) 2_465 2_464 ? O31A Ca21 AlB 33.020(14) 2_465 2_464 ? O31B Ca21 AlB 109.919(17) 3_666 2_464 ? O31A Ca21 AlB 109.919(17) 3_666 2_464 ? O32B Ca21 AlB 85.399(14) 2_465 2_464 ? O32A Ca21 AlB 85.399(14) 2_465 2_464 ? O32B Ca21 AlB 71.920(14) 3_666 2_464 ? O32A Ca21 AlB 71.920(14) 3_666 2_464 ? O22B Ca21 SiB1 168.846(18) 3_677 2_464 ? O22A Ca21 SiB1 168.846(18) 3_677 2_464 ? O22B Ca21 SiB1 30.925(15) 2_474 2_464 ? O22A Ca21 SiB1 30.925(15) 2_474 2_464 ? O12B Ca21 SiB1 107.089(15) 1_565 2_464 ? O12A Ca21 SiB1 107.089(15) 1_565 2_464 ? O12B Ca21 SiB1 104.284(15) 4_667 2_464 ? O12A Ca21 SiB1 104.284(15) 4_667 2_464 ? O31B Ca21 SiB1 33.020(14) 2_465 2_464 ? O31A Ca21 SiB1 33.020(14) 2_465 2_464 ? O31B Ca21 SiB1 109.919(17) 3_666 2_464 ? O31A Ca21 SiB1 109.919(17) 3_666 2_464 ? O32B Ca21 SiB1 85.399(14) 2_465 2_464 ? O32A Ca21 SiB1 85.399(14) 2_465 2_464 ? O32B Ca21 SiB1 71.920(14) 3_666 2_464 ? O32A Ca21 SiB1 71.920(14) 3_666 2_464 ? AlB Ca21 SiB1 0.000(11) 2_464 2_464 ? O22B Ca21 AlB 30.925(15) 3_677 3_667 ? O22A Ca21 AlB 30.925(15) 3_677 3_667 ? O22B Ca21 AlB 168.846(18) 2_474 3_667 ? O22A Ca21 AlB 168.846(18) 2_474 3_667 ? O12B Ca21 AlB 104.284(15) 1_565 3_667 ? O12A Ca21 AlB 104.284(15) 1_565 3_667 ? O12B Ca21 AlB 107.089(15) 4_667 3_667 ? O12A Ca21 AlB 107.089(15) 4_667 3_667 ? O31B Ca21 AlB 109.919(17) 2_465 3_667 ? O31A Ca21 AlB 109.919(17) 2_465 3_667 ? O31B Ca21 AlB 33.020(14) 3_666 3_667 ? O31A Ca21 AlB 33.020(14) 3_666 3_667 ? O32B Ca21 AlB 71.920(14) 2_465 3_667 ? O32A Ca21 AlB 71.920(14) 2_465 3_667 ? O32B Ca21 AlB 85.399(14) 3_666 3_667 ? O32A Ca21 AlB 85.399(14) 3_666 3_667 ? AlB Ca21 AlB 142.167(13) 2_464 3_667 ? SiB1 Ca21 AlB 142.167(13) 2_464 3_667 ? O22B Ca21 SiB1 30.925(15) 3_677 3_667 ? O22A Ca21 SiB1 30.925(15) 3_677 3_667 ? O22B Ca21 SiB1 168.846(18) 2_474 3_667 ? O22A Ca21 SiB1 168.846(18) 2_474 3_667 ? O12B Ca21 SiB1 104.284(15) 1_565 3_667 ? O12A Ca21 SiB1 104.284(15) 1_565 3_667 ? O12B Ca21 SiB1 107.089(15) 4_667 3_667 ? O12A Ca21 SiB1 107.089(15) 4_667 3_667 ? O31B Ca21 SiB1 109.919(17) 2_465 3_667 ? O31A Ca21 SiB1 109.919(17) 2_465 3_667 ? O31B Ca21 SiB1 33.020(14) 3_666 3_667 ? O31A Ca21 SiB1 33.020(14) 3_666 3_667 ? O32B Ca21 SiB1 71.920(14) 2_465 3_667 ? O32A Ca21 SiB1 71.920(14) 2_465 3_667 ? O32B Ca21 SiB1 85.399(14) 3_666 3_667 ? O32A Ca21 SiB1 85.399(14) 3_666 3_667 ? AlB Ca21 SiB1 142.167(13) 2_464 3_667 ? SiB1 Ca21 SiB1 142.167(13) 2_464 3_667 ? AlB Ca21 SiB1 0.000(10) 3_667 3_667 ? O22B Ca21 MnM1 39.212(15) 3_677 1_566 ? O22A Ca21 MnM1 39.212(15) 3_677 1_566 ? O22B Ca21 MnM1 123.876(18) 2_474 1_566 ? O22A Ca21 MnM1 123.876(18) 2_474 1_566 ? O12B Ca21 MnM1 79.207(17) 1_565 1_566 ? O12A Ca21 MnM1 79.207(17) 1_565 1_566 ? O12B Ca21 MnM1 39.986(15) 4_667 1_566 ? O12A Ca21 MnM1 39.986(15) 4_667 1_566 ? O31B Ca21 MnM1 137.310(14) 2_465 1_566 ? O31A Ca21 MnM1 137.310(14) 2_465 1_566 ? O31B Ca21 MnM1 98.220(14) 3_666 1_566 ? O31A Ca21 MnM1 98.220(14) 3_666 1_566 ? O32B Ca21 MnM1 80.504(13) 2_465 1_566 ? O32A Ca21 MnM1 80.504(13) 2_465 1_566 ? O32B Ca21 MnM1 148.633(12) 3_666 1_566 ? O32A Ca21 MnM1 148.633(12) 3_666 1_566 ? AlB Ca21 MnM1 139.406(6) 2_464 1_566 ? SiB1 Ca21 MnM1 139.406(6) 2_464 1_566 ? AlB Ca21 MnM1 67.133(7) 3_667 1_566 ? SiB1 Ca21 MnM1 67.133(7) 3_667 1_566 ? O22B Ca21 AlM1 39.212(15) 3_677 1_566 ? O22A Ca21 AlM1 39.212(15) 3_677 1_566 ? O22B Ca21 AlM1 123.876(18) 2_474 1_566 ? O22A Ca21 AlM1 123.876(18) 2_474 1_566 ? O12B Ca21 AlM1 79.207(17) 1_565 1_566 ? O12A Ca21 AlM1 79.207(17) 1_565 1_566 ? O12B Ca21 AlM1 39.986(15) 4_667 1_566 ? O12A Ca21 AlM1 39.986(15) 4_667 1_566 ? O31B Ca21 AlM1 137.310(14) 2_465 1_566 ? O31A Ca21 AlM1 137.310(14) 2_465 1_566 ? O31B Ca21 AlM1 98.220(14) 3_666 1_566 ? O31A Ca21 AlM1 98.220(14) 3_666 1_566 ? O32B Ca21 AlM1 80.504(13) 2_465 1_566 ? O32A Ca21 AlM1 80.504(13) 2_465 1_566 ? O32B Ca21 AlM1 148.633(12) 3_666 1_566 ? O32A Ca21 AlM1 148.633(12) 3_666 1_566 ? AlB Ca21 AlM1 139.406(6) 2_464 1_566 ? SiB1 Ca21 AlM1 139.406(6) 2_464 1_566 ? AlB Ca21 AlM1 67.133(7) 3_667 1_566 ? SiB1 Ca21 AlM1 67.133(7) 3_667 1_566 ? MnM1 Ca21 AlM1 0.0 1_566 1_566 ? O22B Ca21 F2M1 39.212(15) 3_677 1_566 ? O22A Ca21 F2M1 39.212(15) 3_677 1_566 ? O22B Ca21 F2M1 123.876(18) 2_474 1_566 ? O22A Ca21 F2M1 123.876(18) 2_474 1_566 ? O12B Ca21 F2M1 79.207(17) 1_565 1_566 ? O12A Ca21 F2M1 79.207(17) 1_565 1_566 ? O12B Ca21 F2M1 39.986(15) 4_667 1_566 ? O12A Ca21 F2M1 39.986(15) 4_667 1_566 ? O31B Ca21 F2M1 137.310(14) 2_465 1_566 ? O31A Ca21 F2M1 137.310(14) 2_465 1_566 ? O31B Ca21 F2M1 98.220(14) 3_666 1_566 ? O31A Ca21 F2M1 98.220(14) 3_666 1_566 ? O32B Ca21 F2M1 80.504(13) 2_465 1_566 ? O32A Ca21 F2M1 80.504(13) 2_465 1_566 ? O32B Ca21 F2M1 148.633(12) 3_666 1_566 ? O32A Ca21 F2M1 148.633(12) 3_666 1_566 ? AlB Ca21 F2M1 139.406(6) 2_464 1_566 ? SiB1 Ca21 F2M1 139.406(6) 2_464 1_566 ? AlB Ca21 F2M1 67.133(7) 3_667 1_566 ? SiB1 Ca21 F2M1 67.133(7) 3_667 1_566 ? MnM1 Ca21 F2M1 0.0 1_566 1_566 ? AlM1 Ca21 F2M1 0.0 1_566 1_566 ? O22B Ca21 MgM1 39.212(15) 3_677 1_566 ? O22A Ca21 MgM1 39.212(15) 3_677 1_566 ? O22B Ca21 MgM1 123.876(18) 2_474 1_566 ? O22A Ca21 MgM1 123.876(18) 2_474 1_566 ? O12B Ca21 MgM1 79.207(17) 1_565 1_566 ? O12A Ca21 MgM1 79.207(17) 1_565 1_566 ? O12B Ca21 MgM1 39.986(15) 4_667 1_566 ? O12A Ca21 MgM1 39.986(15) 4_667 1_566 ? O31B Ca21 MgM1 137.310(14) 2_465 1_566 ? O31A Ca21 MgM1 137.310(14) 2_465 1_566 ? O31B Ca21 MgM1 98.220(14) 3_666 1_566 ? O31A Ca21 MgM1 98.220(14) 3_666 1_566 ? O32B Ca21 MgM1 80.504(13) 2_465 1_566 ? O32A Ca21 MgM1 80.504(13) 2_465 1_566 ? O32B Ca21 MgM1 148.633(12) 3_666 1_566 ? O32A Ca21 MgM1 148.633(12) 3_666 1_566 ? AlB Ca21 MgM1 139.406(6) 2_464 1_566 ? SiB1 Ca21 MgM1 139.406(6) 2_464 1_566 ? AlB Ca21 MgM1 67.133(7) 3_667 1_566 ? SiB1 Ca21 MgM1 67.133(7) 3_667 1_566 ? MnM1 Ca21 MgM1 0.0 1_566 1_566 ? AlM1 Ca21 MgM1 0.0 1_566 1_566 ? F2M1 Ca21 MgM1 0.0 1_566 1_566 ? O22B Ca21 MnM1 123.876(18) 3_677 1_565 ? O22A Ca21 MnM1 123.876(18) 3_677 1_565 ? O22B Ca21 MnM1 39.212(15) 2_474 1_565 ? O22A Ca21 MnM1 39.212(15) 2_474 1_565 ? O12B Ca21 MnM1 39.986(15) 1_565 1_565 ? O12A Ca21 MnM1 39.986(15) 1_565 1_565 ? O12B Ca21 MnM1 79.207(17) 4_667 1_565 ? O12A Ca21 MnM1 79.207(17) 4_667 1_565 ? O31B Ca21 MnM1 98.220(14) 2_465 1_565 ? O31A Ca21 MnM1 98.220(14) 2_465 1_565 ? O31B Ca21 MnM1 137.310(14) 3_666 1_565 ? O31A Ca21 MnM1 137.310(14) 3_666 1_565 ? O32B Ca21 MnM1 148.633(13) 2_465 1_565 ? O32A Ca21 MnM1 148.633(13) 2_465 1_565 ? O32B Ca21 MnM1 80.504(13) 3_666 1_565 ? O32A Ca21 MnM1 80.504(13) 3_666 1_565 ? AlB Ca21 MnM1 67.133(6) 2_464 1_565 ? SiB1 Ca21 MnM1 67.133(6) 2_464 1_565 ? AlB Ca21 MnM1 139.406(6) 3_667 1_565 ? SiB1 Ca21 MnM1 139.406(6) 3_667 1_565 ? MnM1 Ca21 MnM1 110.249(14) 1_566 1_565 ? AlM1 Ca21 MnM1 110.249(14) 1_566 1_565 ? F2M1 Ca21 MnM1 110.249(14) 1_566 1_565 ? MgM1 Ca21 MnM1 110.249(14) 1_566 1_565 ? O22B Ca21 AlM1 123.876(18) 3_677 1_565 ? O22A Ca21 AlM1 123.876(18) 3_677 1_565 ? O22B Ca21 AlM1 39.212(15) 2_474 1_565 ? O22A Ca21 AlM1 39.212(15) 2_474 1_565 ? O12B Ca21 AlM1 39.986(15) 1_565 1_565 ? O12A Ca21 AlM1 39.986(15) 1_565 1_565 ? O12B Ca21 AlM1 79.207(17) 4_667 1_565 ? O12A Ca21 AlM1 79.207(17) 4_667 1_565 ? O31B Ca21 AlM1 98.220(14) 2_465 1_565 ? O31A Ca21 AlM1 98.220(14) 2_465 1_565 ? O31B Ca21 AlM1 137.310(14) 3_666 1_565 ? O31A Ca21 AlM1 137.310(14) 3_666 1_565 ? O32B Ca21 AlM1 148.633(13) 2_465 1_565 ? O32A Ca21 AlM1 148.633(13) 2_465 1_565 ? O32B Ca21 AlM1 80.504(13) 3_666 1_565 ? O32A Ca21 AlM1 80.504(13) 3_666 1_565 ? AlB Ca21 AlM1 67.133(6) 2_464 1_565 ? SiB1 Ca21 AlM1 67.133(6) 2_464 1_565 ? AlB Ca21 AlM1 139.406(6) 3_667 1_565 ? SiB1 Ca21 AlM1 139.406(6) 3_667 1_565 ? MnM1 Ca21 AlM1 110.249(14) 1_566 1_565 ? AlM1 Ca21 AlM1 110.249(14) 1_566 1_565 ? F2M1 Ca21 AlM1 110.249(14) 1_566 1_565 ? MgM1 Ca21 AlM1 110.249(14) 1_566 1_565 ? MnM1 Ca21 AlM1 0.000(11) 1_565 1_565 ? O22B Ca21 F2M1 123.876(18) 3_677 1_565 ? O22A Ca21 F2M1 123.876(18) 3_677 1_565 ? O22B Ca21 F2M1 39.212(15) 2_474 1_565 ? O22A Ca21 F2M1 39.212(15) 2_474 1_565 ? O12B Ca21 F2M1 39.986(15) 1_565 1_565 ? O12A Ca21 F2M1 39.986(15) 1_565 1_565 ? O12B Ca21 F2M1 79.207(17) 4_667 1_565 ? O12A Ca21 F2M1 79.207(17) 4_667 1_565 ? O31B Ca21 F2M1 98.220(14) 2_465 1_565 ? O31A Ca21 F2M1 98.220(14) 2_465 1_565 ? O31B Ca21 F2M1 137.310(14) 3_666 1_565 ? O31A Ca21 F2M1 137.310(14) 3_666 1_565 ? O32B Ca21 F2M1 148.633(13) 2_465 1_565 ? O32A Ca21 F2M1 148.633(13) 2_465 1_565 ? O32B Ca21 F2M1 80.504(13) 3_666 1_565 ? O32A Ca21 F2M1 80.504(13) 3_666 1_565 ? AlB Ca21 F2M1 67.133(6) 2_464 1_565 ? SiB1 Ca21 F2M1 67.133(6) 2_464 1_565 ? AlB Ca21 F2M1 139.406(6) 3_667 1_565 ? SiB1 Ca21 F2M1 139.406(6) 3_667 1_565 ? MnM1 Ca21 F2M1 110.249(14) 1_566 1_565 ? AlM1 Ca21 F2M1 110.249(14) 1_566 1_565 ? F2M1 Ca21 F2M1 110.249(14) 1_566 1_565 ? MgM1 Ca21 F2M1 110.249(14) 1_566 1_565 ? MnM1 Ca21 F2M1 0.000(11) 1_565 1_565 ? AlM1 Ca21 F2M1 0.000(11) 1_565 1_565 ? O22B Ca21 MgM1 123.876(18) 3_677 1_565 ? O22A Ca21 MgM1 123.876(18) 3_677 1_565 ? O22B Ca21 MgM1 39.212(15) 2_474 1_565 ? O22A Ca21 MgM1 39.212(15) 2_474 1_565 ? O12B Ca21 MgM1 39.986(15) 1_565 1_565 ? O12A Ca21 MgM1 39.986(15) 1_565 1_565 ? O12B Ca21 MgM1 79.207(17) 4_667 1_565 ? O12A Ca21 MgM1 79.207(17) 4_667 1_565 ? O31B Ca21 MgM1 98.220(14) 2_465 1_565 ? O31A Ca21 MgM1 98.220(14) 2_465 1_565 ? O31B Ca21 MgM1 137.310(14) 3_666 1_565 ? O31A Ca21 MgM1 137.310(14) 3_666 1_565 ? O32B Ca21 MgM1 148.633(13) 2_465 1_565 ? O32A Ca21 MgM1 148.633(13) 2_465 1_565 ? O32B Ca21 MgM1 80.504(13) 3_666 1_565 ? O32A Ca21 MgM1 80.504(13) 3_666 1_565 ? AlB Ca21 MgM1 67.133(6) 2_464 1_565 ? SiB1 Ca21 MgM1 67.133(6) 2_464 1_565 ? AlB Ca21 MgM1 139.406(6) 3_667 1_565 ? SiB1 Ca21 MgM1 139.406(6) 3_667 1_565 ? MnM1 Ca21 MgM1 110.249(14) 1_566 1_565 ? AlM1 Ca21 MgM1 110.249(14) 1_566 1_565 ? F2M1 Ca21 MgM1 110.249(14) 1_566 1_565 ? MgM1 Ca21 MgM1 110.249(14) 1_566 1_565 ? MnM1 Ca21 MgM1 0.000(11) 1_565 1_565 ? AlM1 Ca21 MgM1 0.000(11) 1_565 1_565 ? F2M1 Ca21 MgM1 0.000(11) 1_565 1_565 ? O22B Ca21 SiA2 111.166(17) 3_677 2_465 ? O22A Ca21 SiA2 111.166(17) 3_677 2_465 ? O22B Ca21 SiA2 86.669(16) 2_474 2_465 ? O22A Ca21 SiA2 86.669(16) 2_474 2_465 ? O12B Ca21 SiA2 164.510(15) 1_565 2_465 ? O12A Ca21 SiA2 164.510(15) 1_565 2_465 ? O12B Ca21 SiA2 111.406(15) 4_667 2_465 ? O12A Ca21 SiA2 111.406(15) 4_667 2_465 ? O31B Ca21 SiA2 29.325(14) 2_465 2_465 ? O31A Ca21 SiA2 29.325(14) 2_465 2_465 ? O31B Ca21 SiA2 69.412(16) 3_666 2_465 ? O31A Ca21 SiA2 69.412(16) 3_666 2_465 ? O32B Ca21 SiA2 30.419(13) 2_465 2_465 ? O32A Ca21 SiA2 30.419(13) 2_465 2_465 ? O32B Ca21 SiA2 84.400(15) 3_666 2_465 ? O32A Ca21 SiA2 84.400(15) 3_666 2_465 ? AlB Ca21 SiA2 57.753(7) 2_464 2_465 ? SiB1 Ca21 SiA2 57.753(7) 2_464 2_465 ? AlB Ca21 SiA2 90.971(8) 3_667 2_465 ? SiB1 Ca21 SiA2 90.971(8) 3_667 2_465 ? MnM1 Ca21 SiA2 109.861(6) 1_566 2_465 ? AlM1 Ca21 SiA2 109.861(6) 1_566 2_465 ? F2M1 Ca21 SiA2 109.861(6) 1_566 2_465 ? MgM1 Ca21 SiA2 109.861(6) 1_566 2_465 ? MnM1 Ca21 SiA2 124.854(6) 1_565 2_465 ? AlM1 Ca21 SiA2 124.854(6) 1_565 2_465 ? F2M1 Ca21 SiA2 124.854(6) 1_565 2_465 ? MgM1 Ca21 SiA2 124.854(6) 1_565 2_465 ? O22B Ca21 SiA1 111.166(17) 3_677 2_465 ? O22A Ca21 SiA1 111.166(17) 3_677 2_465 ? O22B Ca21 SiA1 86.669(16) 2_474 2_465 ? O22A Ca21 SiA1 86.669(16) 2_474 2_465 ? O12B Ca21 SiA1 164.510(15) 1_565 2_465 ? O12A Ca21 SiA1 164.510(15) 1_565 2_465 ? O12B Ca21 SiA1 111.406(15) 4_667 2_465 ? O12A Ca21 SiA1 111.406(15) 4_667 2_465 ? O31B Ca21 SiA1 29.325(14) 2_465 2_465 ? O31A Ca21 SiA1 29.325(14) 2_465 2_465 ? O31B Ca21 SiA1 69.412(16) 3_666 2_465 ? O31A Ca21 SiA1 69.412(16) 3_666 2_465 ? O32B Ca21 SiA1 30.419(13) 2_465 2_465 ? O32A Ca21 SiA1 30.419(13) 2_465 2_465 ? O32B Ca21 SiA1 84.400(15) 3_666 2_465 ? O32A Ca21 SiA1 84.400(15) 3_666 2_465 ? AlB Ca21 SiA1 57.753(7) 2_464 2_465 ? SiB1 Ca21 SiA1 57.753(7) 2_464 2_465 ? AlB Ca21 SiA1 90.971(8) 3_667 2_465 ? SiB1 Ca21 SiA1 90.971(8) 3_667 2_465 ? MnM1 Ca21 SiA1 109.861(6) 1_566 2_465 ? AlM1 Ca21 SiA1 109.861(6) 1_566 2_465 ? F2M1 Ca21 SiA1 109.861(6) 1_566 2_465 ? MgM1 Ca21 SiA1 109.861(6) 1_566 2_465 ? MnM1 Ca21 SiA1 124.854(6) 1_565 2_465 ? AlM1 Ca21 SiA1 124.854(6) 1_565 2_465 ? F2M1 Ca21 SiA1 124.854(6) 1_565 2_465 ? MgM1 Ca21 SiA1 124.854(6) 1_565 2_465 ? SiA2 Ca21 SiA1 0.000(9) 2_465 2_465 ? O22B Ca21 SiA2 86.669(16) 3_677 3_666 ? O22A Ca21 SiA2 86.669(16) 3_677 3_666 ? O22B Ca21 SiA2 111.166(17) 2_474 3_666 ? O22A Ca21 SiA2 111.166(17) 2_474 3_666 ? O12B Ca21 SiA2 111.406(15) 1_565 3_666 ? O12A Ca21 SiA2 111.406(15) 1_565 3_666 ? O12B Ca21 SiA2 164.510(15) 4_667 3_666 ? O12A Ca21 SiA2 164.510(15) 4_667 3_666 ? O31B Ca21 SiA2 69.412(16) 2_465 3_666 ? O31A Ca21 SiA2 69.412(16) 2_465 3_666 ? O31B Ca21 SiA2 29.325(14) 3_666 3_666 ? O31A Ca21 SiA2 29.325(14) 3_666 3_666 ? O32B Ca21 SiA2 84.400(15) 2_465 3_666 ? O32A Ca21 SiA2 84.400(15) 2_465 3_666 ? O32B Ca21 SiA2 30.419(13) 3_666 3_666 ? O32A Ca21 SiA2 30.419(13) 3_666 3_666 ? AlB Ca21 SiA2 90.971(8) 2_464 3_666 ? SiB1 Ca21 SiA2 90.971(8) 2_464 3_666 ? AlB Ca21 SiA2 57.753(7) 3_667 3_666 ? SiB1 Ca21 SiA2 57.753(7) 3_667 3_666 ? MnM1 Ca21 SiA2 124.854(6) 1_566 3_666 ? AlM1 Ca21 SiA2 124.854(6) 1_566 3_666 ? F2M1 Ca21 SiA2 124.854(6) 1_566 3_666 ? MgM1 Ca21 SiA2 124.854(6) 1_566 3_666 ? MnM1 Ca21 SiA2 109.861(6) 1_565 3_666 ? AlM1 Ca21 SiA2 109.861(6) 1_565 3_666 ? F2M1 Ca21 SiA2 109.861(6) 1_565 3_666 ? MgM1 Ca21 SiA2 109.861(6) 1_565 3_666 ? SiA2 Ca21 SiA2 74.349(10) 2_465 3_666 ? SiA1 Ca21 SiA2 74.349(10) 2_465 3_666 ? O22B Ca21 SiA1 86.669(16) 3_677 3_666 ? O22A Ca21 SiA1 86.669(16) 3_677 3_666 ? O22B Ca21 SiA1 111.166(17) 2_474 3_666 ? O22A Ca21 SiA1 111.166(17) 2_474 3_666 ? O12B Ca21 SiA1 111.406(15) 1_565 3_666 ? O12A Ca21 SiA1 111.406(15) 1_565 3_666 ? O12B Ca21 SiA1 164.510(15) 4_667 3_666 ? O12A Ca21 SiA1 164.510(15) 4_667 3_666 ? O31B Ca21 SiA1 69.412(16) 2_465 3_666 ? O31A Ca21 SiA1 69.412(16) 2_465 3_666 ? O31B Ca21 SiA1 29.325(14) 3_666 3_666 ? O31A Ca21 SiA1 29.325(14) 3_666 3_666 ? O32B Ca21 SiA1 84.400(15) 2_465 3_666 ? O32A Ca21 SiA1 84.400(15) 2_465 3_666 ? O32B Ca21 SiA1 30.419(13) 3_666 3_666 ? O32A Ca21 SiA1 30.419(13) 3_666 3_666 ? AlB Ca21 SiA1 90.971(8) 2_464 3_666 ? SiB1 Ca21 SiA1 90.971(8) 2_464 3_666 ? AlB Ca21 SiA1 57.753(7) 3_667 3_666 ? SiB1 Ca21 SiA1 57.753(7) 3_667 3_666 ? MnM1 Ca21 SiA1 124.854(6) 1_566 3_666 ? AlM1 Ca21 SiA1 124.854(6) 1_566 3_666 ? F2M1 Ca21 SiA1 124.854(6) 1_566 3_666 ? MgM1 Ca21 SiA1 124.854(6) 1_566 3_666 ? MnM1 Ca21 SiA1 109.861(6) 1_565 3_666 ? AlM1 Ca21 SiA1 109.861(6) 1_565 3_666 ? F2M1 Ca21 SiA1 109.861(6) 1_565 3_666 ? MgM1 Ca21 SiA1 109.861(6) 1_565 3_666 ? SiA2 Ca21 SiA1 74.349(10) 2_465 3_666 ? SiA1 Ca21 SiA1 74.349(10) 2_465 3_666 ? SiA2 Ca21 SiA1 0.000(5) 3_666 3_666 ? O22B Ca21 AlB 71.343(16) 3_677 1_565 ? O22A Ca21 AlB 71.343(16) 3_677 1_565 ? O22B Ca21 AlB 96.232(16) 2_474 1_565 ? O22A Ca21 AlB 96.232(16) 2_474 1_565 ? O12B Ca21 AlB 26.784(14) 1_565 1_565 ? O12A Ca21 AlB 26.784(14) 1_565 1_565 ? O12B Ca21 AlB 88.042(17) 4_667 1_565 ? O12A Ca21 AlB 88.042(17) 4_667 1_565 ? O31B Ca21 AlB 138.190(14) 2_465 1_565 ? O31A Ca21 AlB 138.190(14) 2_465 1_565 ? O31B Ca21 AlB 96.210(14) 3_666 1_565 ? O31A Ca21 AlB 96.210(14) 3_666 1_565 ? O32B Ca21 AlB 153.773(13) 2_465 1_565 ? O32A Ca21 AlB 153.773(13) 2_465 1_565 ? O32B Ca21 AlB 76.857(13) 3_666 1_565 ? O32A Ca21 AlB 76.857(13) 3_666 1_565 ? AlB Ca21 AlB 119.436(8) 2_464 1_565 ? SiB1 Ca21 AlB 119.436(8) 2_464 1_565 ? AlB Ca21 AlB 82.470(7) 3_667 1_565 ? SiB1 Ca21 AlB 82.470(7) 3_667 1_565 ? MnM1 Ca21 AlB 84.495(7) 1_566 1_565 ? AlM1 Ca21 AlB 84.495(7) 1_566 1_565 ? F2M1 Ca21 AlB 84.495(7) 1_566 1_565 ? MgM1 Ca21 AlB 84.495(7) 1_566 1_565 ? MnM1 Ca21 AlB 57.334(5) 1_565 1_565 ? AlM1 Ca21 AlB 57.334(5) 1_565 1_565 ? F2M1 Ca21 AlB 57.334(5) 1_565 1_565 ? MgM1 Ca21 AlB 57.334(5) 1_565 1_565 ? SiA2 Ca21 AlB 160.546(9) 2_465 1_565 ? SiA1 Ca21 AlB 160.546(9) 2_465 1_565 ? SiA2 Ca21 AlB 86.727(6) 3_666 1_565 ? SiA1 Ca21 AlB 86.727(6) 3_666 1_565 ? O22B Ca21 SiB1 71.343(16) 3_677 1_565 ? O22A Ca21 SiB1 71.343(16) 3_677 1_565 ? O22B Ca21 SiB1 96.232(16) 2_474 1_565 ? O22A Ca21 SiB1 96.232(16) 2_474 1_565 ? O12B Ca21 SiB1 26.784(14) 1_565 1_565 ? O12A Ca21 SiB1 26.784(14) 1_565 1_565 ? O12B Ca21 SiB1 88.042(17) 4_667 1_565 ? O12A Ca21 SiB1 88.042(17) 4_667 1_565 ? O31B Ca21 SiB1 138.190(14) 2_465 1_565 ? O31A Ca21 SiB1 138.190(14) 2_465 1_565 ? O31B Ca21 SiB1 96.210(14) 3_666 1_565 ? O31A Ca21 SiB1 96.210(14) 3_666 1_565 ? O32B Ca21 SiB1 153.773(13) 2_465 1_565 ? O32A Ca21 SiB1 153.773(13) 2_465 1_565 ? O32B Ca21 SiB1 76.857(13) 3_666 1_565 ? O32A Ca21 SiB1 76.857(13) 3_666 1_565 ? AlB Ca21 SiB1 119.436(8) 2_464 1_565 ? SiB1 Ca21 SiB1 119.436(8) 2_464 1_565 ? AlB Ca21 SiB1 82.470(7) 3_667 1_565 ? SiB1 Ca21 SiB1 82.470(7) 3_667 1_565 ? MnM1 Ca21 SiB1 84.495(7) 1_566 1_565 ? AlM1 Ca21 SiB1 84.495(7) 1_566 1_565 ? F2M1 Ca21 SiB1 84.495(7) 1_566 1_565 ? MgM1 Ca21 SiB1 84.495(7) 1_566 1_565 ? MnM1 Ca21 SiB1 57.334(5) 1_565 1_565 ? AlM1 Ca21 SiB1 57.334(5) 1_565 1_565 ? F2M1 Ca21 SiB1 57.334(5) 1_565 1_565 ? MgM1 Ca21 SiB1 57.334(5) 1_565 1_565 ? SiA2 Ca21 SiB1 160.546(9) 2_465 1_565 ? SiA1 Ca21 SiB1 160.546(9) 2_465 1_565 ? SiA2 Ca21 SiB1 86.727(6) 3_666 1_565 ? SiA1 Ca21 SiB1 86.727(6) 3_666 1_565 ? AlB Ca21 SiB1 0.000(10) 1_565 1_565 ? O22B Ca21 AlB 96.232(16) 3_677 4_667 ? O22A Ca21 AlB 96.232(16) 3_677 4_667 ? O22B Ca21 AlB 71.343(16) 2_474 4_667 ? O22A Ca21 AlB 71.343(16) 2_474 4_667 ? O12B Ca21 AlB 88.042(17) 1_565 4_667 ? O12A Ca21 AlB 88.042(17) 1_565 4_667 ? O12B Ca21 AlB 26.784(15) 4_667 4_667 ? O12A Ca21 AlB 26.784(15) 4_667 4_667 ? O31B Ca21 AlB 96.210(14) 2_465 4_667 ? O31A Ca21 AlB 96.210(14) 2_465 4_667 ? O31B Ca21 AlB 138.190(14) 3_666 4_667 ? O31A Ca21 AlB 138.190(14) 3_666 4_667 ? O32B Ca21 AlB 76.857(13) 2_465 4_667 ? O32A Ca21 AlB 76.857(13) 2_465 4_667 ? O32B Ca21 AlB 153.773(13) 3_666 4_667 ? O32A Ca21 AlB 153.773(13) 3_666 4_667 ? AlB Ca21 AlB 82.470(7) 2_464 4_667 ? SiB1 Ca21 AlB 82.470(7) 2_464 4_667 ? AlB Ca21 AlB 119.436(8) 3_667 4_667 ? SiB1 Ca21 AlB 119.436(8) 3_667 4_667 ? MnM1 Ca21 AlB 57.334(5) 1_566 4_667 ? AlM1 Ca21 AlB 57.334(5) 1_566 4_667 ? F2M1 Ca21 AlB 57.334(5) 1_566 4_667 ? MgM1 Ca21 AlB 57.334(5) 1_566 4_667 ? MnM1 Ca21 AlB 84.495(7) 1_565 4_667 ? AlM1 Ca21 AlB 84.495(7) 1_565 4_667 ? F2M1 Ca21 AlB 84.495(7) 1_565 4_667 ? MgM1 Ca21 AlB 84.495(7) 1_565 4_667 ? SiA2 Ca21 AlB 86.727(6) 2_465 4_667 ? SiA1 Ca21 AlB 86.727(6) 2_465 4_667 ? SiA2 Ca21 AlB 160.546(9) 3_666 4_667 ? SiA1 Ca21 AlB 160.546(9) 3_666 4_667 ? AlB Ca21 AlB 112.461(11) 1_565 4_667 ? SiB1 Ca21 AlB 112.461(11) 1_565 4_667 ? O22B Ca21 SiB1 96.232(16) 3_677 4_667 ? O22A Ca21 SiB1 96.232(16) 3_677 4_667 ? O22B Ca21 SiB1 71.343(16) 2_474 4_667 ? O22A Ca21 SiB1 71.343(16) 2_474 4_667 ? O12B Ca21 SiB1 88.042(17) 1_565 4_667 ? O12A Ca21 SiB1 88.042(17) 1_565 4_667 ? O12B Ca21 SiB1 26.784(15) 4_667 4_667 ? O12A Ca21 SiB1 26.784(15) 4_667 4_667 ? O31B Ca21 SiB1 96.210(14) 2_465 4_667 ? O31A Ca21 SiB1 96.210(14) 2_465 4_667 ? O31B Ca21 SiB1 138.190(14) 3_666 4_667 ? O31A Ca21 SiB1 138.190(14) 3_666 4_667 ? O32B Ca21 SiB1 76.857(13) 2_465 4_667 ? O32A Ca21 SiB1 76.857(13) 2_465 4_667 ? O32B Ca21 SiB1 153.773(13) 3_666 4_667 ? O32A Ca21 SiB1 153.773(13) 3_666 4_667 ? AlB Ca21 SiB1 82.470(7) 2_464 4_667 ? SiB1 Ca21 SiB1 82.470(7) 2_464 4_667 ? AlB Ca21 SiB1 119.436(8) 3_667 4_667 ? SiB1 Ca21 SiB1 119.436(8) 3_667 4_667 ? MnM1 Ca21 SiB1 57.334(5) 1_566 4_667 ? AlM1 Ca21 SiB1 57.334(5) 1_566 4_667 ? F2M1 Ca21 SiB1 57.334(5) 1_566 4_667 ? MgM1 Ca21 SiB1 57.334(5) 1_566 4_667 ? MnM1 Ca21 SiB1 84.495(7) 1_565 4_667 ? AlM1 Ca21 SiB1 84.495(7) 1_565 4_667 ? F2M1 Ca21 SiB1 84.495(7) 1_565 4_667 ? MgM1 Ca21 SiB1 84.495(7) 1_565 4_667 ? SiA2 Ca21 SiB1 86.727(6) 2_465 4_667 ? SiA1 Ca21 SiB1 86.727(6) 2_465 4_667 ? SiA2 Ca21 SiB1 160.546(9) 3_666 4_667 ? SiA1 Ca21 SiB1 160.546(9) 3_666 4_667 ? AlB Ca21 SiB1 112.461(11) 1_565 4_667 ? SiB1 Ca21 SiB1 112.461(11) 1_565 4_667 ? AlB Ca21 SiB1 0.000(8) 4_667 4_667 ? O22B Ca21 O22A 67.15(2) 3_677 . ? O22A Ca21 O22A 67.15(2) 3_677 . ? O22B Ca21 O22A 109.96(2) 2_474 . ? O22A Ca21 O22A 109.96(2) 2_474 . ? O12B Ca21 O22A 53.925(18) 1_565 . ? O12A Ca21 O22A 53.925(18) 1_565 . ? O12B Ca21 O22A 112.528(19) 4_667 . ? O12A Ca21 O22A 112.528(19) 4_667 . ? O31B Ca21 O22A 122.176(18) 2_465 . ? O31A Ca21 O22A 122.176(18) 2_465 . ? O31B Ca21 O22A 69.934(17) 3_666 . ? O31A Ca21 O22A 69.934(17) 3_666 . ? O32B Ca21 O22A 133.720(17) 2_465 . ? O32A Ca21 O22A 133.720(17) 2_465 . ? O32B Ca21 O22A 57.145(17) 3_666 . ? O32A Ca21 O22A 57.145(17) 3_666 . ? AlB Ca21 O22A 120.710(12) 2_464 . ? SiB1 Ca21 O22A 120.710(12) 2_464 . ? AlB Ca21 O22A 64.487(12) 3_667 . ? SiB1 Ca21 O22A 64.487(12) 3_667 . ? MnM1 Ca21 O22A 95.835(12) 1_566 . ? AlM1 Ca21 O22A 95.835(12) 1_566 . ? F2M1 Ca21 O22A 95.835(12) 1_566 . ? MgM1 Ca21 O22A 95.835(12) 1_566 . ? MnM1 Ca21 O22A 75.951(11) 1_565 . ? AlM1 Ca21 O22A 75.951(11) 1_565 . ? F2M1 Ca21 O22A 75.951(11) 1_565 . ? MgM1 Ca21 O22A 75.951(11) 1_565 . ? SiA2 Ca21 O22A 134.248(14) 2_465 . ? SiA1 Ca21 O22A 134.248(14) 2_465 . ? SiA2 Ca21 O22A 59.922(12) 3_666 . ? SiA1 Ca21 O22A 59.922(12) 3_666 . ? AlB Ca21 O22A 27.410(11) 1_565 . ? SiB1 Ca21 O22A 27.410(11) 1_565 . ? AlB Ca21 O22A 138.642(14) 4_667 . ? SiB1 Ca21 O22A 138.642(14) 4_667 . ? O22B Ca21 O22B 109.96(2) 3_677 4_657 ? O22A Ca21 O22B 109.96(2) 3_677 4_657 ? O22B Ca21 O22B 67.15(2) 2_474 4_657 ? O22A Ca21 O22B 67.15(2) 2_474 4_657 ? O12B Ca21 O22B 112.528(19) 1_565 4_657 ? O12A Ca21 O22B 112.528(19) 1_565 4_657 ? O12B Ca21 O22B 53.925(18) 4_667 4_657 ? O12A Ca21 O22B 53.925(18) 4_667 4_657 ? O31B Ca21 O22B 69.934(17) 2_465 4_657 ? O31A Ca21 O22B 69.934(17) 2_465 4_657 ? O31B Ca21 O22B 122.176(18) 3_666 4_657 ? O31A Ca21 O22B 122.176(18) 3_666 4_657 ? O32B Ca21 O22B 57.145(17) 2_465 4_657 ? O32A Ca21 O22B 57.145(17) 2_465 4_657 ? O32B Ca21 O22B 133.720(17) 3_666 4_657 ? O32A Ca21 O22B 133.720(17) 3_666 4_657 ? AlB Ca21 O22B 64.487(12) 2_464 4_657 ? SiB1 Ca21 O22B 64.487(12) 2_464 4_657 ? AlB Ca21 O22B 120.710(12) 3_667 4_657 ? SiB1 Ca21 O22B 120.710(12) 3_667 4_657 ? MnM1 Ca21 O22B 75.951(11) 1_566 4_657 ? AlM1 Ca21 O22B 75.951(11) 1_566 4_657 ? F2M1 Ca21 O22B 75.951(11) 1_566 4_657 ? MgM1 Ca21 O22B 75.951(11) 1_566 4_657 ? MnM1 Ca21 O22B 95.835(12) 1_565 4_657 ? AlM1 Ca21 O22B 95.835(12) 1_565 4_657 ? F2M1 Ca21 O22B 95.835(12) 1_565 4_657 ? MgM1 Ca21 O22B 95.835(12) 1_565 4_657 ? SiA2 Ca21 O22B 59.922(12) 2_465 4_657 ? SiA1 Ca21 O22B 59.922(12) 2_465 4_657 ? SiA2 Ca21 O22B 134.248(14) 3_666 4_657 ? SiA1 Ca21 O22B 134.248(14) 3_666 4_657 ? AlB Ca21 O22B 138.642(14) 1_565 4_657 ? SiB1 Ca21 O22B 138.642(14) 1_565 4_657 ? AlB Ca21 O22B 27.410(11) 4_667 4_657 ? SiB1 Ca21 O22B 27.410(11) 4_667 4_657 ? O22A Ca21 O22B 165.83(2) . 4_657 ? O22B Ca21 O22A 109.96(2) 3_677 4_657 ? O22A Ca21 O22A 109.96(2) 3_677 4_657 ? O22B Ca21 O22A 67.15(2) 2_474 4_657 ? O22A Ca21 O22A 67.15(2) 2_474 4_657 ? O12B Ca21 O22A 112.528(19) 1_565 4_657 ? O12A Ca21 O22A 112.528(19) 1_565 4_657 ? O12B Ca21 O22A 53.925(18) 4_667 4_657 ? O12A Ca21 O22A 53.925(18) 4_667 4_657 ? O31B Ca21 O22A 69.934(17) 2_465 4_657 ? O31A Ca21 O22A 69.934(17) 2_465 4_657 ? O31B Ca21 O22A 122.176(18) 3_666 4_657 ? O31A Ca21 O22A 122.176(18) 3_666 4_657 ? O32B Ca21 O22A 57.145(17) 2_465 4_657 ? O32A Ca21 O22A 57.145(17) 2_465 4_657 ? O32B Ca21 O22A 133.720(17) 3_666 4_657 ? O32A Ca21 O22A 133.720(17) 3_666 4_657 ? AlB Ca21 O22A 64.487(12) 2_464 4_657 ? SiB1 Ca21 O22A 64.487(12) 2_464 4_657 ? AlB Ca21 O22A 120.710(12) 3_667 4_657 ? SiB1 Ca21 O22A 120.710(12) 3_667 4_657 ? MnM1 Ca21 O22A 75.951(11) 1_566 4_657 ? AlM1 Ca21 O22A 75.951(11) 1_566 4_657 ? F2M1 Ca21 O22A 75.951(11) 1_566 4_657 ? MgM1 Ca21 O22A 75.951(11) 1_566 4_657 ? MnM1 Ca21 O22A 95.835(12) 1_565 4_657 ? AlM1 Ca21 O22A 95.835(12) 1_565 4_657 ? F2M1 Ca21 O22A 95.835(12) 1_565 4_657 ? MgM1 Ca21 O22A 95.835(12) 1_565 4_657 ? SiA2 Ca21 O22A 59.922(12) 2_465 4_657 ? SiA1 Ca21 O22A 59.922(12) 2_465 4_657 ? SiA2 Ca21 O22A 134.248(14) 3_666 4_657 ? SiA1 Ca21 O22A 134.248(14) 3_666 4_657 ? AlB Ca21 O22A 138.642(14) 1_565 4_657 ? SiB1 Ca21 O22A 138.642(14) 1_565 4_657 ? AlB Ca21 O22A 27.410(11) 4_667 4_657 ? SiB1 Ca21 O22A 27.410(11) 4_667 4_657 ? O22A Ca21 O22A 165.83(2) . 4_657 ? O22B Ca21 O22A 0.000(3) 4_657 4_657 ? O22B Ca21 Cr11 79.041(16) 3_677 1_565 ? O22A Ca21 Cr11 79.041(16) 3_677 1_565 ? O22B Ca21 Cr11 79.041(16) 2_474 1_565 ? O22A Ca21 Cr11 79.041(16) 2_474 1_565 ? O12B Ca21 Cr11 33.515(15) 1_565 1_565 ? O12A Ca21 Cr11 33.515(15) 1_565 1_565 ? O12B Ca21 Cr11 33.515(15) 4_667 1_565 ? O12A Ca21 Cr11 33.515(15) 4_667 1_565 ? O31B Ca21 Cr11 140.153(14) 2_465 1_565 ? O31A Ca21 Cr11 140.153(14) 2_465 1_565 ? O31B Ca21 Cr11 140.153(14) 3_666 1_565 ? O31A Ca21 Cr11 140.153(14) 3_666 1_565 ? O32B Ca21 Cr11 127.040(13) 2_465 1_565 ? O32A Ca21 Cr11 127.040(13) 2_465 1_565 ? O32B Ca21 Cr11 127.040(13) 3_666 1_565 ? O32A Ca21 Cr11 127.040(13) 3_666 1_565 ? AlB Ca21 Cr11 108.917(7) 2_464 1_565 ? SiB1 Ca21 Cr11 108.917(7) 2_464 1_565 ? AlB Ca21 Cr11 108.917(7) 3_667 1_565 ? SiB1 Ca21 Cr11 108.917(7) 3_667 1_565 ? MnM1 Ca21 Cr11 55.124(7) 1_566 1_565 ? AlM1 Ca21 Cr11 55.124(7) 1_566 1_565 ? F2M1 Ca21 Cr11 55.124(7) 1_566 1_565 ? MgM1 Ca21 Cr11 55.124(7) 1_566 1_565 ? MnM1 Ca21 Cr11 55.124(7) 1_565 1_565 ? AlM1 Ca21 Cr11 55.124(7) 1_565 1_565 ? F2M1 Ca21 Cr11 55.124(7) 1_565 1_565 ? MgM1 Ca21 Cr11 55.124(7) 1_565 1_565 ? SiA2 Ca21 Cr11 142.826(5) 2_465 1_565 ? SiA1 Ca21 Cr11 142.826(5) 2_465 1_565 ? SiA2 Ca21 Cr11 142.826(5) 3_666 1_565 ? SiA1 Ca21 Cr11 142.826(5) 3_666 1_565 ? AlB Ca21 Cr11 56.230(6) 1_565 1_565 ? SiB1 Ca21 Cr11 56.230(6) 1_565 1_565 ? AlB Ca21 Cr11 56.230(6) 4_667 1_565 ? SiB1 Ca21 Cr11 56.230(6) 4_667 1_565 ? O22A Ca21 Cr11 82.914(12) . 1_565 ? O22B Ca21 Cr11 82.914(12) 4_657 1_565 ? O22A Ca21 Cr11 82.914(12) 4_657 1_565 ? O22B Ca21 TM11 79.041(16) 3_677 1_565 ? O22A Ca21 TM11 79.041(16) 3_677 1_565 ? O22B Ca21 TM11 79.041(16) 2_474 1_565 ? O22A Ca21 TM11 79.041(16) 2_474 1_565 ? O12B Ca21 TM11 33.515(15) 1_565 1_565 ? O12A Ca21 TM11 33.515(15) 1_565 1_565 ? O12B Ca21 TM11 33.515(15) 4_667 1_565 ? O12A Ca21 TM11 33.515(15) 4_667 1_565 ? O31B Ca21 TM11 140.153(14) 2_465 1_565 ? O31A Ca21 TM11 140.153(14) 2_465 1_565 ? O31B Ca21 TM11 140.153(14) 3_666 1_565 ? O31A Ca21 TM11 140.153(14) 3_666 1_565 ? O32B Ca21 TM11 127.040(13) 2_465 1_565 ? O32A Ca21 TM11 127.040(13) 2_465 1_565 ? O32B Ca21 TM11 127.040(13) 3_666 1_565 ? O32A Ca21 TM11 127.040(13) 3_666 1_565 ? AlB Ca21 TM11 108.917(7) 2_464 1_565 ? SiB1 Ca21 TM11 108.917(7) 2_464 1_565 ? AlB Ca21 TM11 108.917(7) 3_667 1_565 ? SiB1 Ca21 TM11 108.917(7) 3_667 1_565 ? MnM1 Ca21 TM11 55.124(7) 1_566 1_565 ? AlM1 Ca21 TM11 55.124(7) 1_566 1_565 ? F2M1 Ca21 TM11 55.124(7) 1_566 1_565 ? MgM1 Ca21 TM11 55.124(7) 1_566 1_565 ? MnM1 Ca21 TM11 55.124(7) 1_565 1_565 ? AlM1 Ca21 TM11 55.124(7) 1_565 1_565 ? F2M1 Ca21 TM11 55.124(7) 1_565 1_565 ? MgM1 Ca21 TM11 55.124(7) 1_565 1_565 ? SiA2 Ca21 TM11 142.826(5) 2_465 1_565 ? SiA1 Ca21 TM11 142.826(5) 2_465 1_565 ? SiA2 Ca21 TM11 142.826(5) 3_666 1_565 ? SiA1 Ca21 TM11 142.826(5) 3_666 1_565 ? AlB Ca21 TM11 56.230(6) 1_565 1_565 ? SiB1 Ca21 TM11 56.230(6) 1_565 1_565 ? AlB Ca21 TM11 56.230(6) 4_667 1_565 ? SiB1 Ca21 TM11 56.230(6) 4_667 1_565 ? O22A Ca21 TM11 82.914(12) . 1_565 ? O22B Ca21 TM11 82.914(12) 4_657 1_565 ? O22A Ca21 TM11 82.914(12) 4_657 1_565 ? Cr11 Ca21 TM11 0.0 1_565 1_565 ? O22B Ca21 AM11 79.041(16) 3_677 1_565 ? O22A Ca21 AM11 79.041(16) 3_677 1_565 ? O22B Ca21 AM11 79.041(16) 2_474 1_565 ? O22A Ca21 AM11 79.041(16) 2_474 1_565 ? O12B Ca21 AM11 33.515(15) 1_565 1_565 ? O12A Ca21 AM11 33.515(15) 1_565 1_565 ? O12B Ca21 AM11 33.515(15) 4_667 1_565 ? O12A Ca21 AM11 33.515(15) 4_667 1_565 ? O31B Ca21 AM11 140.153(14) 2_465 1_565 ? O31A Ca21 AM11 140.153(14) 2_465 1_565 ? O31B Ca21 AM11 140.153(14) 3_666 1_565 ? O31A Ca21 AM11 140.153(14) 3_666 1_565 ? O32B Ca21 AM11 127.040(13) 2_465 1_565 ? O32A Ca21 AM11 127.040(13) 2_465 1_565 ? O32B Ca21 AM11 127.040(13) 3_666 1_565 ? O32A Ca21 AM11 127.040(13) 3_666 1_565 ? AlB Ca21 AM11 108.917(7) 2_464 1_565 ? SiB1 Ca21 AM11 108.917(7) 2_464 1_565 ? AlB Ca21 AM11 108.917(7) 3_667 1_565 ? SiB1 Ca21 AM11 108.917(7) 3_667 1_565 ? MnM1 Ca21 AM11 55.124(7) 1_566 1_565 ? AlM1 Ca21 AM11 55.124(7) 1_566 1_565 ? F2M1 Ca21 AM11 55.124(7) 1_566 1_565 ? MgM1 Ca21 AM11 55.124(7) 1_566 1_565 ? MnM1 Ca21 AM11 55.124(7) 1_565 1_565 ? AlM1 Ca21 AM11 55.124(7) 1_565 1_565 ? F2M1 Ca21 AM11 55.124(7) 1_565 1_565 ? MgM1 Ca21 AM11 55.124(7) 1_565 1_565 ? SiA2 Ca21 AM11 142.826(5) 2_465 1_565 ? SiA1 Ca21 AM11 142.826(5) 2_465 1_565 ? SiA2 Ca21 AM11 142.826(5) 3_666 1_565 ? SiA1 Ca21 AM11 142.826(5) 3_666 1_565 ? AlB Ca21 AM11 56.230(6) 1_565 1_565 ? SiB1 Ca21 AM11 56.230(6) 1_565 1_565 ? AlB Ca21 AM11 56.230(6) 4_667 1_565 ? SiB1 Ca21 AM11 56.230(6) 4_667 1_565 ? O22A Ca21 AM11 82.914(12) . 1_565 ? O22B Ca21 AM11 82.914(12) 4_657 1_565 ? O22A Ca21 AM11 82.914(12) 4_657 1_565 ? Cr11 Ca21 AM11 0.0 1_565 1_565 ? TM11 Ca21 AM11 0.0 1_565 1_565 ? O22B Ca21 FM11 79.041(16) 3_677 1_565 ? O22A Ca21 FM11 79.041(16) 3_677 1_565 ? O22B Ca21 FM11 79.041(16) 2_474 1_565 ? O22A Ca21 FM11 79.041(16) 2_474 1_565 ? O12B Ca21 FM11 33.515(15) 1_565 1_565 ? O12A Ca21 FM11 33.515(15) 1_565 1_565 ? O12B Ca21 FM11 33.515(15) 4_667 1_565 ? O12A Ca21 FM11 33.515(15) 4_667 1_565 ? O31B Ca21 FM11 140.153(14) 2_465 1_565 ? O31A Ca21 FM11 140.153(14) 2_465 1_565 ? O31B Ca21 FM11 140.153(14) 3_666 1_565 ? O31A Ca21 FM11 140.153(14) 3_666 1_565 ? O32B Ca21 FM11 127.040(13) 2_465 1_565 ? O32A Ca21 FM11 127.040(13) 2_465 1_565 ? O32B Ca21 FM11 127.040(13) 3_666 1_565 ? O32A Ca21 FM11 127.040(13) 3_666 1_565 ? AlB Ca21 FM11 108.917(7) 2_464 1_565 ? SiB1 Ca21 FM11 108.917(7) 2_464 1_565 ? AlB Ca21 FM11 108.917(7) 3_667 1_565 ? SiB1 Ca21 FM11 108.917(7) 3_667 1_565 ? MnM1 Ca21 FM11 55.124(7) 1_566 1_565 ? AlM1 Ca21 FM11 55.124(7) 1_566 1_565 ? F2M1 Ca21 FM11 55.124(7) 1_566 1_565 ? MgM1 Ca21 FM11 55.124(7) 1_566 1_565 ? MnM1 Ca21 FM11 55.124(7) 1_565 1_565 ? AlM1 Ca21 FM11 55.124(7) 1_565 1_565 ? F2M1 Ca21 FM11 55.124(7) 1_565 1_565 ? MgM1 Ca21 FM11 55.124(7) 1_565 1_565 ? SiA2 Ca21 FM11 142.826(5) 2_465 1_565 ? SiA1 Ca21 FM11 142.826(5) 2_465 1_565 ? SiA2 Ca21 FM11 142.826(5) 3_666 1_565 ? SiA1 Ca21 FM11 142.826(5) 3_666 1_565 ? AlB Ca21 FM11 56.230(6) 1_565 1_565 ? SiB1 Ca21 FM11 56.230(6) 1_565 1_565 ? AlB Ca21 FM11 56.230(6) 4_667 1_565 ? SiB1 Ca21 FM11 56.230(6) 4_667 1_565 ? O22A Ca21 FM11 82.914(12) . 1_565 ? O22B Ca21 FM11 82.914(12) 4_657 1_565 ? O22A Ca21 FM11 82.914(12) 4_657 1_565 ? Cr11 Ca21 FM11 0.0 1_565 1_565 ? TM11 Ca21 FM11 0.0 1_565 1_565 ? AM11 Ca21 FM11 0.0 1_565 1_565 ? O22B Ca21 MM11 79.041(16) 3_677 1_565 ? O22A Ca21 MM11 79.041(16) 3_677 1_565 ? O22B Ca21 MM11 79.041(16) 2_474 1_565 ? O22A Ca21 MM11 79.041(16) 2_474 1_565 ? O12B Ca21 MM11 33.515(15) 1_565 1_565 ? O12A Ca21 MM11 33.515(15) 1_565 1_565 ? O12B Ca21 MM11 33.515(15) 4_667 1_565 ? O12A Ca21 MM11 33.515(15) 4_667 1_565 ? O31B Ca21 MM11 140.153(14) 2_465 1_565 ? O31A Ca21 MM11 140.153(14) 2_465 1_565 ? O31B Ca21 MM11 140.153(14) 3_666 1_565 ? O31A Ca21 MM11 140.153(14) 3_666 1_565 ? O32B Ca21 MM11 127.040(13) 2_465 1_565 ? O32A Ca21 MM11 127.040(13) 2_465 1_565 ? O32B Ca21 MM11 127.040(13) 3_666 1_565 ? O32A Ca21 MM11 127.040(13) 3_666 1_565 ? AlB Ca21 MM11 108.917(7) 2_464 1_565 ? SiB1 Ca21 MM11 108.917(7) 2_464 1_565 ? AlB Ca21 MM11 108.917(7) 3_667 1_565 ? SiB1 Ca21 MM11 108.917(7) 3_667 1_565 ? MnM1 Ca21 MM11 55.124(7) 1_566 1_565 ? AlM1 Ca21 MM11 55.124(7) 1_566 1_565 ? F2M1 Ca21 MM11 55.124(7) 1_566 1_565 ? MgM1 Ca21 MM11 55.124(7) 1_566 1_565 ? MnM1 Ca21 MM11 55.124(7) 1_565 1_565 ? AlM1 Ca21 MM11 55.124(7) 1_565 1_565 ? F2M1 Ca21 MM11 55.124(7) 1_565 1_565 ? MgM1 Ca21 MM11 55.124(7) 1_565 1_565 ? SiA2 Ca21 MM11 142.826(5) 2_465 1_565 ? SiA1 Ca21 MM11 142.826(5) 2_465 1_565 ? SiA2 Ca21 MM11 142.826(5) 3_666 1_565 ? SiA1 Ca21 MM11 142.826(5) 3_666 1_565 ? AlB Ca21 MM11 56.230(6) 1_565 1_565 ? SiB1 Ca21 MM11 56.230(6) 1_565 1_565 ? AlB Ca21 MM11 56.230(6) 4_667 1_565 ? SiB1 Ca21 MM11 56.230(6) 4_667 1_565 ? O22A Ca21 MM11 82.914(12) . 1_565 ? O22B Ca21 MM11 82.914(12) 4_657 1_565 ? O22A Ca21 MM11 82.914(12) 4_657 1_565 ? Cr11 Ca21 MM11 0.0 1_565 1_565 ? TM11 Ca21 MM11 0.0 1_565 1_565 ? AM11 Ca21 MM11 0.0 1_565 1_565 ? FM11 Ca21 MM11 0.0 1_565 1_565 ? O22B Ca21 O22A 55.22(2) 3_677 2_475 ? O22A Ca21 O22A 55.22(2) 3_677 2_475 ? O22B Ca21 O22A 121.50(2) 2_474 2_475 ? O22A Ca21 O22A 121.50(2) 2_474 2_475 ? O12B Ca21 O22A 112.065(19) 1_565 2_475 ? O12A Ca21 O22A 112.065(19) 1_565 2_475 ? O12B Ca21 O22A 54.128(18) 4_667 2_475 ? O12A Ca21 O22A 54.128(18) 4_667 2_475 ? O31B Ca21 O22A 103.629(17) 2_465 2_475 ? O31A Ca21 O22A 103.629(17) 2_465 2_475 ? O31B Ca21 O22A 87.595(17) 3_666 2_475 ? O31A Ca21 O22A 87.595(17) 3_666 2_475 ? O32B Ca21 O22A 47.143(16) 2_465 2_475 ? O32A Ca21 O22A 47.143(16) 2_465 2_475 ? O32B Ca21 O22A 146.318(18) 3_666 2_475 ? O32A Ca21 O22A 146.318(18) 3_666 2_475 ? AlB Ca21 O22A 116.922(11) 2_464 2_475 ? SiB1 Ca21 O22A 116.922(11) 2_464 2_475 ? AlB Ca21 O22A 68.223(12) 3_667 2_475 ? SiB1 Ca21 O22A 68.223(12) 3_667 2_475 ? MnM1 Ca21 O22A 34.056(11) 1_566 2_475 ? AlM1 Ca21 O22A 34.056(11) 1_566 2_475 ? F2M1 Ca21 O22A 34.056(11) 1_566 2_475 ? MgM1 Ca21 O22A 34.056(11) 1_566 2_475 ? MnM1 Ca21 O22A 133.177(14) 1_565 2_475 ? AlM1 Ca21 O22A 133.177(14) 1_565 2_475 ? F2M1 Ca21 O22A 133.177(14) 1_565 2_475 ? MgM1 Ca21 O22A 133.177(14) 1_565 2_475 ? SiA2 Ca21 O22A 75.827(11) 2_465 2_475 ? SiA1 Ca21 O22A 75.827(11) 2_465 2_475 ? SiA2 Ca21 O22A 116.477(12) 3_666 2_475 ? SiA1 Ca21 O22A 116.477(12) 3_666 2_475 ? AlB Ca21 O22A 117.846(12) 1_565 2_475 ? SiB1 Ca21 O22A 117.846(12) 1_565 2_475 ? AlB Ca21 O22A 52.605(11) 4_667 2_475 ? SiB1 Ca21 O22A 52.605(11) 4_667 2_475 ? O22A Ca21 O22A 122.216(18) . 2_475 ? O22B Ca21 O22A 55.651(19) 4_657 2_475 ? O22A Ca21 O22A 55.651(19) 4_657 2_475 ? Cr11 Ca21 O22A 82.754(11) 1_565 2_475 ? TM11 Ca21 O22A 82.754(11) 1_565 2_475 ? AM11 Ca21 O22A 82.754(11) 1_565 2_475 ? FM11 Ca21 O22A 82.754(11) 1_565 2_475 ? MM11 Ca21 O22A 82.754(11) 1_565 2_475 ? O22B Ca21 O22B 55.22(2) 3_677 2_475 ? O22A Ca21 O22B 55.22(2) 3_677 2_475 ? O22B Ca21 O22B 121.50(2) 2_474 2_475 ? O22A Ca21 O22B 121.50(2) 2_474 2_475 ? O12B Ca21 O22B 112.065(19) 1_565 2_475 ? O12A Ca21 O22B 112.065(19) 1_565 2_475 ? O12B Ca21 O22B 54.128(18) 4_667 2_475 ? O12A Ca21 O22B 54.128(18) 4_667 2_475 ? O31B Ca21 O22B 103.629(17) 2_465 2_475 ? O31A Ca21 O22B 103.629(17) 2_465 2_475 ? O31B Ca21 O22B 87.595(17) 3_666 2_475 ? O31A Ca21 O22B 87.595(17) 3_666 2_475 ? O32B Ca21 O22B 47.143(16) 2_465 2_475 ? O32A Ca21 O22B 47.143(16) 2_465 2_475 ? O32B Ca21 O22B 146.318(18) 3_666 2_475 ? O32A Ca21 O22B 146.318(18) 3_666 2_475 ? AlB Ca21 O22B 116.922(11) 2_464 2_475 ? SiB1 Ca21 O22B 116.922(11) 2_464 2_475 ? AlB Ca21 O22B 68.223(12) 3_667 2_475 ? SiB1 Ca21 O22B 68.223(12) 3_667 2_475 ? MnM1 Ca21 O22B 34.056(11) 1_566 2_475 ? AlM1 Ca21 O22B 34.056(11) 1_566 2_475 ? F2M1 Ca21 O22B 34.056(11) 1_566 2_475 ? MgM1 Ca21 O22B 34.056(11) 1_566 2_475 ? MnM1 Ca21 O22B 133.177(14) 1_565 2_475 ? AlM1 Ca21 O22B 133.177(14) 1_565 2_475 ? F2M1 Ca21 O22B 133.177(14) 1_565 2_475 ? MgM1 Ca21 O22B 133.177(14) 1_565 2_475 ? SiA2 Ca21 O22B 75.827(11) 2_465 2_475 ? SiA1 Ca21 O22B 75.827(11) 2_465 2_475 ? SiA2 Ca21 O22B 116.477(12) 3_666 2_475 ? SiA1 Ca21 O22B 116.477(12) 3_666 2_475 ? AlB Ca21 O22B 117.846(12) 1_565 2_475 ? SiB1 Ca21 O22B 117.846(12) 1_565 2_475 ? AlB Ca21 O22B 52.605(11) 4_667 2_475 ? SiB1 Ca21 O22B 52.605(11) 4_667 2_475 ? O22A Ca21 O22B 122.216(18) . 2_475 ? O22B Ca21 O22B 55.651(19) 4_657 2_475 ? O22A Ca21 O22B 55.651(19) 4_657 2_475 ? Cr11 Ca21 O22B 82.754(11) 1_565 2_475 ? TM11 Ca21 O22B 82.754(11) 1_565 2_475 ? AM11 Ca21 O22B 82.754(11) 1_565 2_475 ? FM11 Ca21 O22B 82.754(11) 1_565 2_475 ? MM11 Ca21 O22B 82.754(11) 1_565 2_475 ? O22A Ca21 O22B 0.000(17) 2_475 2_475 ? O22B Ca21 O22B 121.50(2) 3_677 3_676 ? O22A Ca21 O22B 121.50(2) 3_677 3_676 ? O22B Ca21 O22B 55.22(2) 2_474 3_676 ? O22A Ca21 O22B 55.22(2) 2_474 3_676 ? O12B Ca21 O22B 54.128(18) 1_565 3_676 ? O12A Ca21 O22B 54.128(18) 1_565 3_676 ? O12B Ca21 O22B 112.065(19) 4_667 3_676 ? O12A Ca21 O22B 112.065(19) 4_667 3_676 ? O31B Ca21 O22B 87.595(17) 2_465 3_676 ? O31A Ca21 O22B 87.595(17) 2_465 3_676 ? O31B Ca21 O22B 103.629(17) 3_666 3_676 ? O31A Ca21 O22B 103.629(17) 3_666 3_676 ? O32B Ca21 O22B 146.318(18) 2_465 3_676 ? O32A Ca21 O22B 146.318(18) 2_465 3_676 ? O32B Ca21 O22B 47.143(16) 3_666 3_676 ? O32A Ca21 O22B 47.143(16) 3_666 3_676 ? AlB Ca21 O22B 68.223(12) 2_464 3_676 ? SiB1 Ca21 O22B 68.223(12) 2_464 3_676 ? AlB Ca21 O22B 116.922(11) 3_667 3_676 ? SiB1 Ca21 O22B 116.922(11) 3_667 3_676 ? MnM1 Ca21 O22B 133.177(14) 1_566 3_676 ? AlM1 Ca21 O22B 133.177(14) 1_566 3_676 ? F2M1 Ca21 O22B 133.177(14) 1_566 3_676 ? MgM1 Ca21 O22B 133.177(14) 1_566 3_676 ? MnM1 Ca21 O22B 34.056(11) 1_565 3_676 ? AlM1 Ca21 O22B 34.056(11) 1_565 3_676 ? F2M1 Ca21 O22B 34.056(11) 1_565 3_676 ? MgM1 Ca21 O22B 34.056(11) 1_565 3_676 ? SiA2 Ca21 O22B 116.477(12) 2_465 3_676 ? SiA1 Ca21 O22B 116.477(12) 2_465 3_676 ? SiA2 Ca21 O22B 75.827(11) 3_666 3_676 ? SiA1 Ca21 O22B 75.827(11) 3_666 3_676 ? AlB Ca21 O22B 52.605(11) 1_565 3_676 ? SiB1 Ca21 O22B 52.605(11) 1_565 3_676 ? AlB Ca21 O22B 117.846(12) 4_667 3_676 ? SiB1 Ca21 O22B 117.846(12) 4_667 3_676 ? O22A Ca21 O22B 55.651(19) . 3_676 ? O22B Ca21 O22B 122.216(18) 4_657 3_676 ? O22A Ca21 O22B 122.216(18) 4_657 3_676 ? Cr11 Ca21 O22B 82.754(11) 1_565 3_676 ? TM11 Ca21 O22B 82.754(11) 1_565 3_676 ? AM11 Ca21 O22B 82.754(11) 1_565 3_676 ? FM11 Ca21 O22B 82.754(11) 1_565 3_676 ? MM11 Ca21 O22B 82.754(11) 1_565 3_676 ? O22A Ca21 O22B 165.51(2) 2_475 3_676 ? O22B Ca21 O22B 165.51(2) 2_475 3_676 ? O22B Ca21 O22A 121.50(2) 3_677 3_676 ? O22A Ca21 O22A 121.50(2) 3_677 3_676 ? O22B Ca21 O22A 55.22(2) 2_474 3_676 ? O22A Ca21 O22A 55.22(2) 2_474 3_676 ? O12B Ca21 O22A 54.128(18) 1_565 3_676 ? O12A Ca21 O22A 54.128(18) 1_565 3_676 ? O12B Ca21 O22A 112.065(19) 4_667 3_676 ? O12A Ca21 O22A 112.065(19) 4_667 3_676 ? O31B Ca21 O22A 87.595(17) 2_465 3_676 ? O31A Ca21 O22A 87.595(17) 2_465 3_676 ? O31B Ca21 O22A 103.629(17) 3_666 3_676 ? O31A Ca21 O22A 103.629(17) 3_666 3_676 ? O32B Ca21 O22A 146.318(18) 2_465 3_676 ? O32A Ca21 O22A 146.318(18) 2_465 3_676 ? O32B Ca21 O22A 47.143(16) 3_666 3_676 ? O32A Ca21 O22A 47.143(16) 3_666 3_676 ? AlB Ca21 O22A 68.223(12) 2_464 3_676 ? SiB1 Ca21 O22A 68.223(12) 2_464 3_676 ? AlB Ca21 O22A 116.922(11) 3_667 3_676 ? SiB1 Ca21 O22A 116.922(11) 3_667 3_676 ? MnM1 Ca21 O22A 133.177(14) 1_566 3_676 ? AlM1 Ca21 O22A 133.177(14) 1_566 3_676 ? F2M1 Ca21 O22A 133.177(14) 1_566 3_676 ? MgM1 Ca21 O22A 133.177(14) 1_566 3_676 ? MnM1 Ca21 O22A 34.056(11) 1_565 3_676 ? AlM1 Ca21 O22A 34.056(11) 1_565 3_676 ? F2M1 Ca21 O22A 34.056(11) 1_565 3_676 ? MgM1 Ca21 O22A 34.056(11) 1_565 3_676 ? SiA2 Ca21 O22A 116.477(12) 2_465 3_676 ? SiA1 Ca21 O22A 116.477(12) 2_465 3_676 ? SiA2 Ca21 O22A 75.827(11) 3_666 3_676 ? SiA1 Ca21 O22A 75.827(11) 3_666 3_676 ? AlB Ca21 O22A 52.605(11) 1_565 3_676 ? SiB1 Ca21 O22A 52.605(11) 1_565 3_676 ? AlB Ca21 O22A 117.846(12) 4_667 3_676 ? SiB1 Ca21 O22A 117.846(12) 4_667 3_676 ? O22A Ca21 O22A 55.651(19) . 3_676 ? O22B Ca21 O22A 122.216(18) 4_657 3_676 ? O22A Ca21 O22A 122.216(18) 4_657 3_676 ? Cr11 Ca21 O22A 82.754(11) 1_565 3_676 ? TM11 Ca21 O22A 82.754(11) 1_565 3_676 ? AM11 Ca21 O22A 82.754(11) 1_565 3_676 ? FM11 Ca21 O22A 82.754(11) 1_565 3_676 ? MM11 Ca21 O22A 82.754(11) 1_565 3_676 ? O22A Ca21 O22A 165.51(2) 2_475 3_676 ? O22B Ca21 O22A 165.51(2) 2_475 3_676 ? O22B Ca21 O22A 0.000(8) 3_676 3_676 ? O22B Ca21 AlB 115.621(16) 3_677 3_666 ? O22A Ca21 AlB 115.621(16) 3_677 3_666 ? O22B Ca21 AlB 70.522(16) 2_474 3_666 ? O22A Ca21 AlB 70.522(16) 2_474 3_666 ? O12B Ca21 AlB 73.195(15) 1_565 3_666 ? O12A Ca21 AlB 73.195(15) 1_565 3_666 ? O12B Ca21 AlB 136.312(17) 4_667 3_666 ? O12A Ca21 AlB 136.312(17) 4_667 3_666 ? O31B Ca21 AlB 77.013(14) 2_465 3_666 ? O31A Ca21 AlB 77.013(14) 2_465 3_666 ? O31B Ca21 AlB 79.926(14) 3_666 3_666 ? O31A Ca21 AlB 79.926(14) 3_666 3_666 ? O32B Ca21 AlB 127.463(16) 2_465 3_666 ? O32A Ca21 AlB 127.463(16) 2_465 3_666 ? O32B Ca21 AlB 22.809(13) 3_666 3_666 ? O32A Ca21 AlB 22.809(13) 3_666 3_666 ? AlB Ca21 AlB 70.612(7) 2_464 3_666 ? SiB1 Ca21 AlB 70.612(7) 2_464 3_666 ? AlB Ca21 AlB 99.394(7) 3_667 3_666 ? SiB1 Ca21 AlB 99.394(7) 3_667 3_666 ? MnM1 Ca21 AlB 145.167(6) 1_566 3_666 ? AlM1 Ca21 AlB 145.167(6) 1_566 3_666 ? F2M1 Ca21 AlB 145.167(6) 1_566 3_666 ? MgM1 Ca21 AlB 145.167(6) 1_566 3_666 ? MnM1 Ca21 AlB 58.454(6) 1_565 3_666 ? AlM1 Ca21 AlB 58.454(6) 1_565 3_666 ? F2M1 Ca21 AlB 58.454(6) 1_565 3_666 ? MgM1 Ca21 AlB 58.454(6) 1_565 3_666 ? SiA2 Ca21 AlB 102.042(8) 2_465 3_666 ? SiA1 Ca21 AlB 102.042(8) 2_465 3_666 ? SiA2 Ca21 AlB 51.435(6) 3_666 3_666 ? SiA1 Ca21 AlB 51.435(6) 3_666 3_666 ? AlB Ca21 AlB 61.400(7) 1_565 3_666 ? SiB1 Ca21 AlB 61.400(7) 1_565 3_666 ? AlB Ca21 AlB 140.178(7) 4_667 3_666 ? SiB1 Ca21 AlB 140.178(7) 4_667 3_666 ? O22A Ca21 AlB 50.533(12) . 3_666 ? O22B Ca21 AlB 134.415(12) 4_657 3_666 ? O22A Ca21 AlB 134.415(12) 4_657 3_666 ? Cr11 Ca21 AlB 105.086(5) 1_565 3_666 ? TM11 Ca21 AlB 105.086(5) 1_565 3_666 ? AM11 Ca21 AlB 105.086(5) 1_565 3_666 ? FM11 Ca21 AlB 105.086(5) 1_565 3_666 ? MM11 Ca21 AlB 105.086(5) 1_565 3_666 ? O22A Ca21 AlB 167.213(12) 2_475 3_666 ? O22B Ca21 AlB 167.213(12) 2_475 3_666 ? O22B Ca21 AlB 24.557(10) 3_676 3_666 ? O22A Ca21 AlB 24.557(10) 3_676 3_666 ? _diffrn_measured_fraction_theta_max 0.959 _diffrn_reflns_theta_full 37.72 _diffrn_measured_fraction_theta_full 0.959 _refine_diff_density_max 0.380 _refine_diff_density_min -0.439 _refine_diff_density_rms 0.098