data_vii _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Al16.60 As0.30 B0.20 Bi0.20 Ca38 Cl0.26 Fe2 Mg5.60 Mn3.40 O2156 Si36' _chemical_formula_weight 5988.34 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'O' 'O2-' 0.0080 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mg' 'Mg' 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Al' 'Al' 0.0645 0.0514 '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' 'Ca' 'Ca' 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mn' 'Mn' 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Bi' 'Bi' -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'As' 'As' 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'B' 'B' 0.0013 0.0007 '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+1/2, z' '-y+1/2, x, z' 'y, -x+1/2, z' '-x+1/2, y, -z+1/2' 'x, -y+1/2, -z+1/2' 'y, x, -z+1/2' '-y+1/2, -x+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y-1/2, -z' 'y-1/2, -x, -z' '-y, x-1/2, -z' 'x-1/2, -y, z-1/2' '-x, y-1/2, z-1/2' '-y, -x, z-1/2' 'y-1/2, x-1/2, z-1/2' _cell_length_a 15.5852(9) _cell_length_b 15.5852(9) _cell_length_c 11.7782(7) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2860.9(3) _cell_formula_units_Z 1 _cell_measurement_temperature 296(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 3.476 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3205 _exptl_absorpt_coefficient_mu 3.436 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(2) _diffrn_radiation_wavelength 0.71073 _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_reflns_number 29222 _diffrn_reflns_av_R_equivalents 0.0187 _diffrn_reflns_av_sigmaI/netI 0.0094 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.85 _diffrn_reflns_theta_max 33.14 _reflns_number_total 2737 _reflns_number_gt 2560 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0164P)^2^+2.2719P] 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 0.00000(4) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 2737 _refine_ls_number_parameters 179 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0192 _refine_ls_R_factor_gt 0.0167 _refine_ls_wR_factor_ref 0.0464 _refine_ls_wR_factor_gt 0.0453 _refine_ls_goodness_of_fit_ref 1.202 _refine_ls_restrained_S_all 1.202 _refine_ls_shift/su_max 1.206 _refine_ls_shift/su_mean 0.007 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 X1CA Ca 0.7500 0.2500 0.2500 0.01045(10) Uani 0.879(7) 4 d SP . . X1MN Mn 0.7500 0.2500 0.2500 0.01045(10) Uani 0.121(7) 4 d SP . . X2CA Ca 0.810436(14) 0.045686(14) 0.379089(18) 0.00884(6) Uani 0.961(4) 1 d P . . X2MN Mn 0.810436(14) 0.045686(14) 0.379089(18) 0.00884(6) Uani 0.039(4) 1 d P . . X3 Ca 0.90003(5) 0.82040(9) 0.8937(2) 0.0151(2) Uani 0.982(10) 1 d P . . Bi3 Bi 0.9100(8) 0.8368(11) 0.8658(12) 0.010(2) Uani 0.015(2) 1 d P . . X4 Ca 0.7500 0.7500 0.14124(8) 0.0116(3) Uani 0.505(3) 4 d SP . . Y1A Mn 0.7500 0.7500 0.06105(16) 0.0075(2) Uiso 0.2229(10) 4 d SP . . Y1 Fe 0.7500 0.7500 0.04018(15) 0.0075(2) Uiso 0.2229(10) 4 d SP . . Y2 Al 0.0000 0.0000 0.0000 0.00788(9) Uani 1 2 d S . . Y3AL Al 0.88896(2) 0.12004(2) 0.12631(3) 0.00786(10) Uani 0.909(2) 1 d P . . Y3MN Mn 0.88896(2) 0.12004(2) 0.12631(3) 0.00786(10) Uani 0.091(2) 1 d P . . Z1 Si 0.2500 0.7500 0.0000 0.00688(10) Uani 1 4 d S . . Z2 Si 0.820208(19) 0.040952(19) 0.87104(2) 0.00628(6) Uani 1 1 d . . . Z3 Si 0.91611(2) 0.84959(2) 0.36419(3) 0.00809(7) Uani 1 1 d . . . T1 As 0.0565(2) 0.0565(2) 0.2500 0.0100(14) Uani 0.0334(10) 2 d SP . . O1 O2- 0.78047(5) 0.17284(5) 0.08561(7) 0.00983(15) Uani 1 1 d . . . O2 O2- 0.88172(5) 0.16035(5) 0.28043(7) 0.00970(14) Uani 1 1 d . . . O3 O2- 0.95478(6) 0.22343(5) 0.07585(7) 0.01054(15) Uani 1 1 d . . . O4 O2- 0.93917(5) 0.10559(5) 0.46983(7) 0.00873(14) Uani 1 1 d . . . O5 O2- 0.82863(5) 0.01285(6) 0.17928(7) 0.01184(15) Uani 1 1 d . . . O6 O2- 0.87897(7) 0.72567(6) 0.05563(8) 0.01579(17) Uani 1 1 d . . . O7A O2- 0.8233(3) 0.94365(12) 0.8213(2) 0.0093(2) Uiso 0.564(12) 1 d P . . O7B O2- 0.8421(3) 0.94761(16) 0.8110(3) 0.0093(2) Uiso 0.436(12) 1 d P . . O8 O2- 0.93986(5) 0.90809(5) 0.06794(7) 0.00873(14) Uani 1 1 d . . . O9 O2- 0.85352(5) 0.85352(5) 0.2500 0.0117(2) Uani 1 2 d S . . O10 O2- 0.7500 0.7500 0.8669(5) 0.0183(6) Uiso 1.01(2) 4 d SP . . Cl Cl 0.7500 0.7500 0.831(2) 0.020(5) Uiso 0.064(11) 4 d SP . . O11 O2- 0.99715(5) 0.06086(5) 0.13716(7) 0.00907(15) Uani 1 1 d . . . 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 X1CA 0.0165(2) 0.00805(18) 0.00676(18) 0.000 0.000 0.000 X1MN 0.0165(2) 0.00805(18) 0.00676(18) 0.000 0.000 0.000 X2CA 0.00763(10) 0.01038(10) 0.00850(10) 0.00018(7) -0.00083(6) 0.00081(7) X2MN 0.00763(10) 0.01038(10) 0.00850(10) 0.00018(7) -0.00083(6) 0.00081(7) X3 0.01199(15) 0.0113(2) 0.0220(5) -0.0019(3) -0.00401(19) 0.00113(15) Bi3 0.013(2) 0.010(3) 0.006(3) 0.006(2) 0.0006(18) 0.0047(17) X4 0.0080(3) 0.0080(3) 0.0188(5) 0.000 0.000 0.000 Y2 0.00621(19) 0.00660(19) 0.0108(2) 0.00066(15) 0.00014(15) 0.00034(14) Y3AL 0.00754(15) 0.00825(15) 0.00779(16) -0.00004(10) 0.00032(10) 0.00017(10) Y3MN 0.00754(15) 0.00825(15) 0.00779(16) -0.00004(10) 0.00032(10) 0.00017(10) Z1 0.00709(15) 0.00709(15) 0.0065(2) 0.000 0.000 0.000 Z2 0.00611(12) 0.00632(12) 0.00642(13) 0.00046(9) -0.00092(9) 0.00004(9) Z3 0.01169(14) 0.00593(12) 0.00664(12) -0.00001(9) 0.00051(10) 0.00025(10) T1 0.0102(16) 0.0102(16) 0.010(2) 0.0008(11) -0.0008(11) 0.0012(15) O1 0.0124(4) 0.0074(3) 0.0097(3) 0.0008(3) -0.0005(3) 0.0003(3) O2 0.0094(3) 0.0092(3) 0.0105(3) 0.0008(3) -0.0030(3) -0.0006(3) O3 0.0129(4) 0.0086(3) 0.0101(3) 0.0005(3) 0.0014(3) 0.0027(3) O4 0.0100(3) 0.0070(3) 0.0092(3) 0.0017(3) -0.0011(3) -0.0001(3) O5 0.0110(4) 0.0148(4) 0.0097(3) -0.0010(3) 0.0011(3) 0.0052(3) O6 0.0246(5) 0.0108(4) 0.0121(4) 0.0047(3) 0.0023(3) 0.0035(3) O8 0.0073(3) 0.0082(3) 0.0107(3) 0.0010(3) 0.0025(3) 0.0006(3) O9 0.0137(3) 0.0137(3) 0.0078(5) 0.0012(3) -0.0012(3) -0.0038(4) O11 0.0078(3) 0.0103(3) 0.0091(3) -0.0013(3) -0.0015(3) -0.0010(3) _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 X1CA O1 2.3282(8) 6 ? X1CA O1 2.3282(8) 2_655 ? X1CA O1 2.3282(8) 5_655 ? X1CA O1 2.3283(8) . ? X1CA O2 2.5090(8) . ? X1CA O2 2.5090(8) 5_655 ? X1CA O2 2.5090(8) 6 ? X1CA O2 2.5090(8) 2_655 ? X1CA Z1 2.94455(18) 13_666 ? X1CA Z1 2.94455(18) 9_665 ? X1CA Y3AL 3.3038(4) . ? X1CA Y3MN 3.3038(4) 6 ? X1CA Y3AL 3.3038(4) 6 ? X1CA Y3MN 3.3038(4) 5_655 ? X1CA Y3AL 3.3038(4) 5_655 ? X1CA Y3AL 3.3038(4) 2_655 ? X1CA Y3MN 3.3038(4) 2_655 ? X1CA X2CA 3.6522(3) . ? X2CA O8 2.3294(8) 7_545 ? X2CA O5 2.3306(9) 5_655 ? X2CA O3 2.3769(9) 15_666 ? X2CA O2 2.4038(9) . ? X2CA O5 2.4250(9) . ? X2CA O4 2.4575(9) . ? X2CA O1 2.4713(9) 5_655 ? X2CA O6 3.0145(11) 7_545 ? X2CA Z2 3.1212(4) 15_665 ? X2CA Z3 3.2140(4) 3_645 ? X2CA Y3MN 3.2696(4) 15_666 ? X2CA Y3AL 3.2696(4) 15_666 ? X2CA Y3MN 3.3171(4) 5_655 ? X2CA Y3AL 3.3171(4) 5_655 ? X2CA Y2 3.3561(3) 7_655 ? X2CA Y3AL 3.4212(4) . ? X2CA Z3 3.4761(4) 1_545 ? X2CA X3 3.5131(15) 7_546 ? X2CA Z3 3.5583(4) 7_545 ? X3 Bi3 0.44(2) . ? X3 O7B 2.386(3) . ? X3 O3 2.3908(10) 9_766 ? X3 O7A 2.418(3) . ? X3 O6 2.434(3) 1_556 ? X3 O11 2.475(2) 9_766 ? X3 O7A 2.492(4) 4_565 ? X3 O8 2.5431(14) 1_556 ? X3 O7B 2.544(4) 7_556 ? X3 O10 2.6020(12) . ? X3 O7A 2.621(3) 7_556 ? X3 T1 2.646(5) 9_666 ? X3 Cl 2.686(7) . ? X3 O7B 2.813(6) 4_565 ? X3 O6 2.883(2) 3_656 ? X3 Y1 3.106(3) 1_556 ? X3 Z2 3.1140(6) 4_665 ? X3 Y1A 3.249(3) 1_556 ? X3 Z3 3.3133(17) 7_556 ? X3 Y3AL 3.4253(14) 9_766 ? Bi3 O7B 2.126(13) . ? Bi3 O11 2.15(2) 9_766 ? Bi3 O7B 2.164(17) 7_556 ? Bi3 O7A 2.207(10) . ? Bi3 T1 2.21(2) 9_666 ? Bi3 O7A 2.274(15) 7_556 ? Bi3 O3 2.407(6) 9_766 ? Bi3 O7A 2.604(13) 4_565 ? Bi3 O8 2.668(6) 1_556 ? Bi3 O10 2.837(19) . ? Bi3 Cl 2.867(17) . ? Bi3 O7B 2.922(13) 4_565 ? Bi3 Bi3 3.17(3) 7_556 ? Bi3 Z2 3.187(8) 4_665 ? Bi3 Y3AL 3.206(15) 9_766 ? Bi3 Y3MN 3.206(15) 9_766 ? Bi3 Y2 3.307(13) 1_666 ? Bi3 X3 3.501(14) 7_556 ? Bi3 X2CA 3.697(8) 7_656 ? X4 Y1A 0.944(2) . ? X4 Y1 1.190(2) . ? X4 O6 2.2805(11) . ? X4 O6 2.2806(11) 4_565 ? X4 O6 2.2806(11) 2_665 ? X4 O6 2.2806(11) 3_655 ? X4 X4 2.562(2) 5_655 ? X4 O9 2.6166(11) 2_665 ? X4 O9 2.6166(11) 4_565 ? X4 O9 2.6166(11) 3_655 ? X4 O9 2.6166(11) . ? X4 Z3 3.0192(4) 8_665 ? X4 Z3 3.0192(4) 7 ? X4 Z3 3.0192(4) 5_655 ? X4 Z3 3.0192(4) 6_565 ? X4 Y1A 3.507(2) 5_655 ? X4 X3 3.895(3) 2_664 ? X4 X3 3.895(3) 4_564 ? X4 X3 3.895(3) 3_654 ? X4 X3 3.895(3) 1_554 ? Y1A O6 2.0465(10) . ? Y1A O6 2.0465(10) 4_565 ? Y1A O6 2.0465(10) 3_655 ? Y1A O6 2.0465(10) 2_665 ? Y1A O10 2.287(6) 1_554 ? Y1A Cl 2.71(3) 1_554 ? Y1A X3 3.249(3) 2_664 ? Y1A X3 3.249(3) 4_564 ? Y1A X3 3.249(3) 1_554 ? Y1A X3 3.249(3) 3_654 ? Y1A X4 3.507(2) 5_655 ? Y1 O10 2.041(5) 1_554 ? Y1 O6 2.0536(10) . ? Y1 O6 2.0536(10) 3_655 ? Y1 O6 2.0536(10) 4_565 ? Y1 O6 2.0536(10) 2_665 ? Y1 Cl 2.46(3) 1_554 ? Y1 X3 3.106(3) 2_664 ? Y1 X3 3.106(3) 4_564 ? Y1 X3 3.106(3) 1_554 ? Y1 X3 3.106(3) 3_654 ? Y2 O11 1.8739(8) 9_655 ? Y2 O11 1.8739(8) 1_455 ? Y2 O8 1.8896(8) 9_665 ? Y2 O8 1.8896(8) 1_445 ? Y2 O4 1.9322(8) 15_565 ? Y2 O4 1.9322(8) 7_545 ? Y2 Y3MN 2.9509(3) 9_655 ? Y2 Y3AL 2.9509(3) 1_455 ? Y2 Y3AL 2.9509(3) 9_655 ? Y2 Y3MN 2.9509(3) 1_455 ? Y2 Bi3 3.306(13) 1_444 ? Y2 Bi3 3.306(13) 9_666 ? Y2 X2CA 3.3561(3) 7_545 ? Y2 X2CA 3.3561(3) 15_565 ? Y2 O7B 3.418(3) 1_444 ? Y2 O7B 3.418(3) 9_666 ? Y2 X3 3.4398(8) 9_666 ? Y2 X3 3.4398(8) 1_444 ? Y3AL O2 1.9242(9) . ? Y3AL O11 1.9262(9) . ? Y3AL O1 1.9405(9) . ? Y3AL O3 2.0006(9) . ? Y3AL O5 2.0160(10) . ? Y3AL O4 2.0628(9) 15_665 ? Y3AL Y2 2.9509(3) 1_655 ? Y3AL Bi3 3.206(15) 9_766 ? Y3AL X2CA 3.2696(4) 15_665 ? Y3AL X2CA 3.3173(4) 5_655 ? Y3AL O7B 3.401(4) 15_765 ? Y3AL X3 3.4253(14) 9_766 ? Z1 O1 1.6397(8) 3 ? Z1 O1 1.6397(8) 10_565 ? Z1 O1 1.6397(8) 4_565 ? Z1 O1 1.6397(8) 9_665 ? Z1 X1MN 2.94455(18) 9_665 ? Z1 X1CA 2.94455(18) 9_665 ? Z1 X1CA 2.94455(18) 3 ? Z1 X1MN 2.94455(18) 3 ? Z1 X2CA 3.6132(3) 14_665 ? Z1 X2CA 3.6132(3) 8_565 ? Z1 X2CA 3.6132(3) 13_565 ? Z1 X2CA 3.6132(3) 7 ? Z2 O7A 1.6267(18) 1_545 ? Z2 O3 1.6342(9) 11_666 ? Z2 O2 1.6381(9) 15_666 ? Z2 O7B 1.653(3) 1_545 ? Z2 O4 1.6695(9) 15_666 ? Z2 T1 2.8340(6) 9_656 ? Z2 X3 3.1139(6) 3_645 ? Z2 X2CA 3.1212(4) 15_666 ? Z2 Bi3 3.187(8) 3_645 ? Z2 X2CA 3.5795(4) 5_656 ? Z2 O7B 3.621(3) 5_646 ? Z3 O6 1.6134(9) 6_565 ? Z3 O8 1.6229(9) 7 ? Z3 O5 1.6255(9) 7_655 ? Z3 O9 1.6626(6) . ? Z3 X4 3.0192(4) 5_655 ? Z3 X2CA 3.2140(4) 4_665 ? Z3 X3 3.3133(17) 7_556 ? Z3 X2CA 3.4761(4) 1_565 ? Z3 X2CA 3.5583(4) 7_655 ? T1 O11 1.621(2) 1_455 ? T1 O11 1.621(2) 7_545 ? T1 O7B 1.737(7) 15_665 ? T1 O7B 1.737(7) 9_666 ? T1 O7A 2.052(6) 15_665 ? T1 O7A 2.052(6) 9_666 ? T1 Bi3 2.21(2) 15_665 ? T1 Bi3 2.21(2) 9_666 ? T1 X3 2.646(5) 15_665 ? T1 X3 2.646(5) 9_666 ? T1 Z2 2.8341(6) 15_565 ? T1 Z2 2.8341(6) 9_656 ? O1 Z1 1.6397(8) 9_665 ? O1 X2CA 2.4714(9) 5_655 ? O1 X2MN 2.4714(9) 5_655 ? O2 Z2 1.6380(9) 15_665 ? O2 O7B 2.684(3) 15_765 ? O3 Z2 1.6342(9) 12_656 ? O3 X2CA 2.3768(9) 15_665 ? O3 X2MN 2.3768(9) 15_665 ? O3 X3 2.3908(10) 9_766 ? O3 Bi3 2.407(6) 9_766 ? O3 O7B 2.741(4) 12_756 ? O4 Z2 1.6695(9) 15_665 ? O4 Y2 1.9321(8) 7_655 ? O4 Y3MN 2.0628(9) 15_666 ? O4 Y3AL 2.0628(9) 15_666 ? O4 O7B 2.698(3) 15_765 ? O5 Z3 1.6254(9) 7_545 ? O5 X2MN 2.3307(9) 5_655 ? O5 X2CA 2.3307(9) 5_655 ? O6 Z3 1.6133(9) 6_565 ? O6 X3 2.435(3) 1_554 ? O6 X3 2.883(2) 4_564 ? O6 X2CA 3.0145(11) 7_655 ? O7A O7B 0.323(3) . ? O7A Z2 1.6267(18) 1_565 ? O7A T1 2.052(6) 9_666 ? O7A Bi3 2.274(15) 7_556 ? O7A X3 2.492(4) 3_655 ? O7A Bi3 2.604(13) 3_655 ? O7A X3 2.621(3) 7_556 ? O7A O7B 2.946(6) 7_556 ? O7A O7B 3.013(6) 5_656 ? O7A O11 16.173(2) . ? O7B Z2 1.653(3) 1_565 ? O7B T1 1.737(7) 9_666 ? O7B Bi3 2.164(17) 7_556 ? O7B X3 2.544(4) 7_556 ? O7B O11 2.582(5) 9_766 ? O7B O2 2.684(3) 15_676 ? O7B O11 2.687(5) 15_676 ? O7B O4 2.698(3) 15_676 ? O7B O7B 2.733(8) 7_556 ? O7B O3 2.741(4) 11_676 ? O7B X3 2.813(6) 3_655 ? O7B Bi3 2.922(13) 3_655 ? O7B O7A 2.946(6) 7_556 ? O7B O7A 3.013(6) 5_656 ? O7B O7B 3.210(8) 5_656 ? O7B Y3AL 3.401(4) 15_676 ? O7B Y3MN 3.401(4) 15_676 ? O8 Z3 1.6228(9) 7 ? O8 Y2 1.8896(8) 1_665 ? O8 X2CA 2.3294(8) 7_655 ? O8 X2MN 2.3294(8) 7_655 ? O8 X3 2.5431(14) 1_554 ? O8 Bi3 2.668(6) 1_554 ? O9 Z3 1.6626(6) 7 ? O9 X4 2.6166(11) 5_655 ? O10 Cl 0.42(2) . ? O10 Y1 2.041(5) 1_556 ? O10 Y1A 2.287(6) 1_556 ? O10 X3 2.6020(12) 2_665 ? O10 X3 2.6020(12) 3_655 ? O10 X3 2.6020(12) 4_565 ? Cl Cl 1.91(5) 5_656 ? Cl Y1 2.46(3) 1_556 ? Cl X3 2.686(7) 2_665 ? Cl X3 2.686(7) 3_655 ? Cl X3 2.686(7) 4_565 ? Cl Y1A 2.71(3) 1_556 ? Cl Bi3 2.867(17) 2_665 ? Cl Bi3 2.867(17) 3_655 ? Cl Bi3 2.867(17) 4_565 ? Cl O7B 3.406(4) 2_665 ? Cl O7B 3.406(4) 3_655 ? Cl O7B 3.406(4) 4_565 ? O11 T1 1.621(2) 1_655 ? O11 Y2 1.8739(8) 1_655 ? O11 Bi3 2.15(2) 9_766 ? O11 X3 2.475(2) 9_766 ? O11 O7B 2.582(5) 9_766 ? O11 O7B 2.687(5) 15_765 ? 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 O1 X1CA O1 117.80(4) 6 2_655 ? O1 X1CA O1 67.47(4) 6 5_655 ? O1 X1CA O1 156.46(4) 2_655 5_655 ? O1 X1CA O1 156.46(4) 6 . ? O1 X1CA O1 67.47(4) 2_655 . ? O1 X1CA O1 117.80(4) 5_655 . ? O1 X1CA O2 90.11(3) 6 . ? O1 X1CA O2 124.98(3) 2_655 . ? O1 X1CA O2 76.14(3) 5_655 . ? O1 X1CA O2 70.38(3) . . ? O1 X1CA O2 124.98(3) 6 5_655 ? O1 X1CA O2 90.11(3) 2_655 5_655 ? O1 X1CA O2 70.38(3) 5_655 5_655 ? O1 X1CA O2 76.14(3) . 5_655 ? O2 X1CA O2 112.32(4) . 5_655 ? O1 X1CA O2 70.38(3) 6 6 ? O1 X1CA O2 76.14(3) 2_655 6 ? O1 X1CA O2 124.98(3) 5_655 6 ? O1 X1CA O2 90.11(3) . 6 ? O2 X1CA O2 70.19(4) . 6 ? O2 X1CA O2 163.58(4) 5_655 6 ? O1 X1CA O2 76.14(3) 6 2_655 ? O1 X1CA O2 70.38(3) 2_655 2_655 ? O1 X1CA O2 90.11(3) 5_655 2_655 ? O1 X1CA O2 124.98(3) . 2_655 ? O2 X1CA O2 163.58(4) . 2_655 ? O2 X1CA O2 70.19(4) 5_655 2_655 ? O2 X1CA O2 112.32(4) 6 2_655 ? O1 X1CA Z1 33.73(2) 6 13_666 ? O1 X1CA Z1 146.27(2) 2_655 13_666 ? O1 X1CA Z1 33.73(2) 5_655 13_666 ? O1 X1CA Z1 146.27(2) . 13_666 ? O2 X1CA Z1 81.787(19) . 13_666 ? O2 X1CA Z1 98.212(19) 5_655 13_666 ? O2 X1CA Z1 98.212(19) 6 13_666 ? O2 X1CA Z1 81.788(19) 2_655 13_666 ? O1 X1CA Z1 146.27(2) 6 9_665 ? O1 X1CA Z1 33.73(2) 2_655 9_665 ? O1 X1CA Z1 146.27(2) 5_655 9_665 ? O1 X1CA Z1 33.73(2) . 9_665 ? O2 X1CA Z1 98.213(19) . 9_665 ? O2 X1CA Z1 81.788(19) 5_655 9_665 ? O2 X1CA Z1 81.788(19) 6 9_665 ? O2 X1CA Z1 98.212(19) 2_655 9_665 ? Z1 X1CA Z1 180.0 13_666 9_665 ? O1 X1CA Y3AL 123.34(2) 6 . ? O1 X1CA Y3AL 94.80(2) 2_655 . ? O1 X1CA Y3AL 100.59(2) 5_655 . ? O1 X1CA Y3AL 35.21(2) . . ? O2 X1CA Y3AL 35.44(2) . . ? O2 X1CA Y3AL 97.58(2) 5_655 . ? O2 X1CA Y3AL 75.055(19) 6 . ? O2 X1CA Y3AL 160.18(2) 2_655 . ? Z1 X1CA Y3AL 116.165(6) 13_666 . ? Z1 X1CA Y3AL 63.835(6) 9_665 . ? O1 X1CA Y3MN 35.20(2) 6 6 ? O1 X1CA Y3MN 100.59(2) 2_655 6 ? O1 X1CA Y3MN 94.80(2) 5_655 6 ? O1 X1CA Y3MN 123.35(2) . 6 ? O2 X1CA Y3MN 75.055(19) . 6 ? O2 X1CA Y3MN 160.18(2) 5_655 6 ? O2 X1CA Y3MN 35.44(2) 6 6 ? O2 X1CA Y3MN 97.58(2) 2_655 6 ? Z1 X1CA Y3MN 63.834(6) 13_666 6 ? Z1 X1CA Y3MN 116.166(6) 9_665 6 ? Y3AL X1CA Y3MN 98.086(11) . 6 ? O1 X1CA Y3AL 35.20(2) 6 6 ? O1 X1CA Y3AL 100.59(2) 2_655 6 ? O1 X1CA Y3AL 94.80(2) 5_655 6 ? O1 X1CA Y3AL 123.35(2) . 6 ? O2 X1CA Y3AL 75.055(19) . 6 ? O2 X1CA Y3AL 160.18(2) 5_655 6 ? O2 X1CA Y3AL 35.44(2) 6 6 ? O2 X1CA Y3AL 97.58(2) 2_655 6 ? Z1 X1CA Y3AL 63.834(6) 13_666 6 ? Z1 X1CA Y3AL 116.166(6) 9_665 6 ? Y3AL X1CA Y3AL 98.086(11) . 6 ? Y3MN X1CA Y3AL 0.000(13) 6 6 ? O1 X1CA Y3MN 94.80(2) 6 5_655 ? O1 X1CA Y3MN 123.35(2) 2_655 5_655 ? O1 X1CA Y3MN 35.20(2) 5_655 5_655 ? O1 X1CA Y3MN 100.59(2) . 5_655 ? O2 X1CA Y3MN 97.58(2) . 5_655 ? O2 X1CA Y3MN 35.44(2) 5_655 5_655 ? O2 X1CA Y3MN 160.18(2) 6 5_655 ? O2 X1CA Y3MN 75.055(19) 2_655 5_655 ? Z1 X1CA Y3MN 63.834(6) 13_666 5_655 ? Z1 X1CA Y3MN 116.166(6) 9_665 5_655 ? Y3AL X1CA Y3MN 104.374(11) . 5_655 ? Y3MN X1CA Y3MN 127.668(11) 6 5_655 ? Y3AL X1CA Y3MN 127.668(11) 6 5_655 ? O1 X1CA Y3AL 94.80(2) 6 5_655 ? O1 X1CA Y3AL 123.35(2) 2_655 5_655 ? O1 X1CA Y3AL 35.20(2) 5_655 5_655 ? O1 X1CA Y3AL 100.59(2) . 5_655 ? O2 X1CA Y3AL 97.58(2) . 5_655 ? O2 X1CA Y3AL 35.44(2) 5_655 5_655 ? O2 X1CA Y3AL 160.18(2) 6 5_655 ? O2 X1CA Y3AL 75.055(19) 2_655 5_655 ? Z1 X1CA Y3AL 63.834(6) 13_666 5_655 ? Z1 X1CA Y3AL 116.166(6) 9_665 5_655 ? Y3AL X1CA Y3AL 104.374(11) . 5_655 ? Y3MN X1CA Y3AL 127.668(11) 6 5_655 ? Y3AL X1CA Y3AL 127.668(11) 6 5_655 ? Y3MN X1CA Y3AL 0.000(12) 5_655 5_655 ? O1 X1CA Y3AL 100.59(2) 6 2_655 ? O1 X1CA Y3AL 35.20(2) 2_655 2_655 ? O1 X1CA Y3AL 123.35(2) 5_655 2_655 ? O1 X1CA Y3AL 94.80(2) . 2_655 ? O2 X1CA Y3AL 160.18(2) . 2_655 ? O2 X1CA Y3AL 75.055(19) 5_655 2_655 ? O2 X1CA Y3AL 97.58(2) 6 2_655 ? O2 X1CA Y3AL 35.44(2) 2_655 2_655 ? Z1 X1CA Y3AL 116.166(6) 13_666 2_655 ? Z1 X1CA Y3AL 63.834(6) 9_665 2_655 ? Y3AL X1CA Y3AL 127.669(11) . 2_655 ? Y3MN X1CA Y3AL 104.374(11) 6 2_655 ? Y3AL X1CA Y3AL 104.374(11) 6 2_655 ? Y3MN X1CA Y3AL 98.087(11) 5_655 2_655 ? Y3AL X1CA Y3AL 98.087(11) 5_655 2_655 ? O1 X1CA Y3MN 100.59(2) 6 2_655 ? O1 X1CA Y3MN 35.20(2) 2_655 2_655 ? O1 X1CA Y3MN 123.35(2) 5_655 2_655 ? O1 X1CA Y3MN 94.80(2) . 2_655 ? O2 X1CA Y3MN 160.18(2) . 2_655 ? O2 X1CA Y3MN 75.055(19) 5_655 2_655 ? O2 X1CA Y3MN 97.58(2) 6 2_655 ? O2 X1CA Y3MN 35.44(2) 2_655 2_655 ? Z1 X1CA Y3MN 116.166(6) 13_666 2_655 ? Z1 X1CA Y3MN 63.834(6) 9_665 2_655 ? Y3AL X1CA Y3MN 127.669(11) . 2_655 ? Y3MN X1CA Y3MN 104.374(11) 6 2_655 ? Y3AL X1CA Y3MN 104.374(11) 6 2_655 ? Y3MN X1CA Y3MN 98.087(11) 5_655 2_655 ? Y3AL X1CA Y3MN 98.087(11) 5_655 2_655 ? Y3AL X1CA Y3MN 0.000(8) 2_655 2_655 ? O1 X1CA X2CA 92.95(2) 6 . ? O1 X1CA X2CA 148.12(2) 2_655 . ? O1 X1CA X2CA 41.93(2) 5_655 . ? O1 X1CA X2CA 80.98(2) . . ? O2 X1CA X2CA 40.885(19) . . ? O2 X1CA X2CA 77.581(19) 5_655 . ? O2 X1CA X2CA 109.511(19) 6 . ? O2 X1CA X2CA 129.576(19) 2_655 . ? Z1 X1CA X2CA 65.398(4) 13_666 . ? Z1 X1CA X2CA 114.602(4) 9_665 . ? Y3AL X1CA X2CA 58.667(7) . . ? Y3MN X1CA X2CA 100.481(7) 6 . ? Y3AL X1CA X2CA 100.481(7) 6 . ? Y3MN X1CA X2CA 56.697(7) 5_655 . ? Y3AL X1CA X2CA 56.697(7) 5_655 . ? Y3AL X1CA X2CA 152.520(7) 2_655 . ? Y3MN X1CA X2CA 152.520(7) 2_655 . ? O8 X2CA O5 122.08(3) 7_545 5_655 ? O8 X2CA O3 83.21(3) 7_545 15_666 ? O5 X2CA O3 94.61(3) 5_655 15_666 ? O8 X2CA O2 110.72(3) 7_545 . ? O5 X2CA O2 116.77(3) 5_655 . ? O3 X2CA O2 125.19(3) 15_666 . ? O8 X2CA O5 91.95(3) 7_545 . ? O5 X2CA O5 77.06(3) 5_655 . ? O3 X2CA O5 166.30(3) 15_666 . ? O2 X2CA O5 68.51(3) . . ? O8 X2CA O4 67.61(3) 7_545 . ? O5 X2CA O4 166.15(3) 5_655 . ? O3 X2CA O4 76.02(3) 15_666 . ? O2 X2CA O4 63.29(3) . . ? O5 X2CA O4 114.00(3) . . ? O8 X2CA O1 153.81(3) 7_545 5_655 ? O5 X2CA O1 72.10(3) 5_655 5_655 ? O3 X2CA O1 73.21(3) 15_666 5_655 ? O2 X2CA O1 75.53(3) . 5_655 ? O5 X2CA O1 113.55(3) . 5_655 ? O4 X2CA O1 95.18(3) . 5_655 ? O8 X2CA O6 66.90(3) 7_545 7_545 ? O5 X2CA O6 58.56(3) 5_655 7_545 ? O3 X2CA O6 69.59(3) 15_666 7_545 ? O2 X2CA O6 165.16(3) . 7_545 ? O5 X2CA O6 96.71(3) . 7_545 ? O4 X2CA O6 125.05(3) . 7_545 ? O1 X2CA O6 113.39(3) 5_655 7_545 ? O8 X2CA Z2 89.85(2) 7_545 15_665 ? O5 X2CA Z2 145.91(2) 5_655 15_665 ? O3 X2CA Z2 101.33(2) 15_666 15_665 ? O2 X2CA Z2 31.19(2) . 15_665 ? O5 X2CA Z2 91.44(2) . 15_665 ? O4 X2CA Z2 32.11(2) . 15_665 ? O1 X2CA Z2 83.89(2) 5_655 15_665 ? O6 X2CA Z2 155.520(19) 7_545 15_665 ? O8 X2CA Z3 94.40(2) 7_545 3_645 ? O5 X2CA Z3 28.87(2) 5_655 3_645 ? O3 X2CA Z3 83.05(2) 15_666 3_645 ? O2 X2CA Z3 143.07(2) . 3_645 ? O5 X2CA Z3 84.56(2) . 3_645 ? O4 X2CA Z3 153.64(2) . 3_645 ? O1 X2CA Z3 93.91(2) 5_655 3_645 ? O6 X2CA Z3 29.806(18) 7_545 3_645 ? Z2 X2CA Z3 174.246(11) 15_665 3_645 ? O8 X2CA Y3MN 76.44(2) 7_545 15_666 ? O5 X2CA Y3MN 129.74(2) 5_655 15_666 ? O3 X2CA Y3MN 37.46(2) 15_666 15_666 ? O2 X2CA Y3MN 92.62(2) . 15_666 ? O5 X2CA Y3MN 153.03(2) . 15_666 ? O4 X2CA Y3MN 39.08(2) . 15_666 ? O1 X2CA Y3MN 77.90(2) 5_655 15_666 ? O6 X2CA Y3MN 100.754(19) 7_545 15_666 ? Z2 X2CA Y3MN 64.690(9) 15_665 15_666 ? Z3 X2CA Y3MN 120.105(10) 3_645 15_666 ? O8 X2CA Y3AL 76.44(2) 7_545 15_666 ? O5 X2CA Y3AL 129.74(2) 5_655 15_666 ? O3 X2CA Y3AL 37.46(2) 15_666 15_666 ? O2 X2CA Y3AL 92.62(2) . 15_666 ? O5 X2CA Y3AL 153.03(2) . 15_666 ? O4 X2CA Y3AL 39.08(2) . 15_666 ? O1 X2CA Y3AL 77.90(2) 5_655 15_666 ? O6 X2CA Y3AL 100.754(19) 7_545 15_666 ? Z2 X2CA Y3AL 64.690(9) 15_665 15_666 ? Z3 X2CA Y3AL 120.105(10) 3_645 15_666 ? Y3MN X2CA Y3AL 0.000(5) 15_666 15_666 ? O8 X2CA Y3MN 149.83(2) 7_545 5_655 ? O5 X2CA Y3MN 36.86(2) 5_655 5_655 ? O3 X2CA Y3MN 79.15(2) 15_666 5_655 ? O2 X2CA Y3MN 99.44(2) . 5_655 ? O5 X2CA Y3MN 99.48(2) . 5_655 ? O4 X2CA Y3MN 129.83(2) . 5_655 ? O1 X2CA Y3MN 35.51(2) 5_655 5_655 ? O6 X2CA Y3MN 83.998(19) 7_545 5_655 ? Z2 X2CA Y3MN 117.430(10) 15_665 5_655 ? Z3 X2CA Y3MN 59.434(9) 3_645 5_655 ? Y3MN X2CA Y3MN 102.634(10) 15_666 5_655 ? Y3AL X2CA Y3MN 102.634(10) 15_666 5_655 ? O8 X2CA Y3AL 149.83(2) 7_545 5_655 ? O5 X2CA Y3AL 36.86(2) 5_655 5_655 ? O3 X2CA Y3AL 79.15(2) 15_666 5_655 ? O2 X2CA Y3AL 99.44(2) . 5_655 ? O5 X2CA Y3AL 99.48(2) . 5_655 ? O4 X2CA Y3AL 129.83(2) . 5_655 ? O1 X2CA Y3AL 35.51(2) 5_655 5_655 ? O6 X2CA Y3AL 83.998(19) 7_545 5_655 ? Z2 X2CA Y3AL 117.430(10) 15_665 5_655 ? Z3 X2CA Y3AL 59.434(9) 3_645 5_655 ? Y3MN X2CA Y3AL 102.634(10) 15_666 5_655 ? Y3AL X2CA Y3AL 102.634(10) 15_666 5_655 ? Y3MN X2CA Y3AL 0.000(11) 5_655 5_655 ? O8 X2CA Y2 32.96(2) 7_545 7_655 ? O5 X2CA Y2 153.79(2) 5_655 7_655 ? O3 X2CA Y2 77.36(2) 15_666 7_655 ? O2 X2CA Y2 87.48(2) . 7_655 ? O5 X2CA Y2 105.31(2) . 7_655 ? O4 X2CA Y2 34.650(19) . 7_655 ? O1 X2CA Y2 127.12(2) 5_655 7_655 ? O6 X2CA Y2 95.431(18) 7_545 7_655 ? Z2 X2CA Y2 60.114(7) 15_665 7_655 ? Z3 X2CA Y2 124.959(9) 3_645 7_655 ? Y3MN X2CA Y2 52.875(7) 15_666 7_655 ? Y3AL X2CA Y2 52.875(7) 15_666 7_655 ? Y3MN X2CA Y2 155.082(9) 5_655 7_655 ? Y3AL X2CA Y2 155.082(9) 5_655 7_655 ? O8 X2CA Y3AL 103.84(2) 7_545 . ? O5 X2CA Y3AL 98.65(2) 5_655 . ? O3 X2CA Y3AL 158.28(2) 15_666 . ? O2 X2CA Y3AL 33.09(2) . . ? O5 X2CA Y3AL 35.43(2) . . ? O4 X2CA Y3AL 87.58(2) . . ? O1 X2CA Y3AL 94.58(2) 5_655 . ? O6 X2CA Y3AL 132.12(2) 7_545 . ? Z2 X2CA Y3AL 58.757(9) 15_665 . ? Z3 X2CA Y3AL 116.288(10) 3_645 . ? Y3MN X2CA Y3AL 123.431(8) 15_666 . ? Y3AL X2CA Y3AL 123.431(8) 15_666 . ? Y3MN X2CA Y3AL 101.544(10) 5_655 . ? Y3AL X2CA Y3AL 101.544(10) 5_655 . ? Y2 X2CA Y3AL 97.253(8) 7_655 . ? O8 X2CA Z3 23.28(2) 7_545 1_545 ? O5 X2CA Z3 103.45(2) 5_655 1_545 ? O3 X2CA Z3 98.73(2) 15_666 1_545 ? O2 X2CA Z3 114.22(2) . 1_545 ? O5 X2CA Z3 73.15(2) . 1_545 ? O4 X2CA Z3 88.23(2) . 1_545 ? O1 X2CA Z3 170.11(2) 5_655 1_545 ? O6 X2CA Z3 57.500(18) 7_545 1_545 ? Z2 X2CA Z3 103.629(10) 15_665 1_545 ? Z3 X2CA Z3 79.191(12) 3_645 1_545 ? Y3MN X2CA Z3 99.314(9) 15_666 1_545 ? Y3AL X2CA Z3 99.314(9) 15_666 1_545 ? Y3MN X2CA Z3 138.590(10) 5_655 1_545 ? Y3AL X2CA Z3 138.590(10) 5_655 1_545 ? Y2 X2CA Z3 54.396(6) 7_655 1_545 ? Y3AL X2CA Z3 94.840(9) . 1_545 ? O8 X2CA X3 46.33(2) 7_545 7_546 ? O5 X2CA X3 97.12(4) 5_655 7_546 ? O3 X2CA X3 42.69(3) 15_666 7_546 ? O2 X2CA X3 145.92(4) . 7_546 ? O5 X2CA X3 126.72(4) . 7_546 ? O4 X2CA X3 82.99(4) . 7_546 ? O1 X2CA X3 114.54(3) 5_655 7_546 ? O6 X2CA X3 42.95(4) 7_545 7_546 ? Z2 X2CA X3 115.03(4) 15_665 7_546 ? Z3 X2CA X3 70.72(4) 3_645 7_546 ? Y3MN X2CA X3 60.54(4) 15_666 7_546 ? Y3AL X2CA X3 60.54(4) 15_666 7_546 ? Y3MN X2CA X3 106.361(16) 5_655 7_546 ? Y3AL X2CA X3 106.361(16) 5_655 7_546 ? Y2 X2CA X3 60.05(3) 7_655 7_546 ? Y3AL X2CA X3 150.010(12) . 7_546 ? Z3 X2CA X3 56.59(2) 1_545 7_546 ? O8 X2CA Z3 72.65(2) 7_545 7_545 ? O5 X2CA Z3 78.31(2) 5_655 7_545 ? O3 X2CA Z3 145.24(2) 15_666 7_545 ? O2 X2CA Z3 87.33(2) . 7_545 ? O5 X2CA Z3 22.88(2) . 7_545 ? O4 X2CA Z3 115.20(2) . 7_545 ? O1 X2CA Z3 133.55(2) 5_655 7_545 ? O6 X2CA Z3 77.959(19) 7_545 7_545 ? Z2 X2CA Z3 103.199(10) 15_665 7_545 ? Z3 X2CA Z3 74.485(11) 3_645 7_545 ? Y3MN X2CA Z3 146.837(10) 15_666 7_545 ? Y3AL X2CA Z3 146.837(10) 15_666 7_545 ? Y3MN X2CA Z3 110.091(9) 5_655 7_545 ? Y3AL X2CA Z3 110.091(9) 5_655 7_545 ? Y2 X2CA Z3 94.032(8) 7_655 7_545 ? Y3AL X2CA Z3 55.256(9) . 7_545 ? Z3 X2CA Z3 51.618(10) 1_545 7_545 ? X3 X2CA Z3 103.84(3) 7_546 7_545 ? Bi3 X3 O7B 49.6(8) . . ? Bi3 X3 O3 86.8(8) . 9_766 ? O7B X3 O3 131.05(16) . 9_766 ? Bi3 X3 O7A 57.0(8) . . ? O7B X3 O7A 7.66(8) . . ? O3 X3 O7A 138.41(14) 9_766 . ? Bi3 X3 O6 167.3(9) . 1_556 ? O7B X3 O6 140.60(14) . 1_556 ? O3 X3 O6 80.59(7) 9_766 1_556 ? O7A X3 O6 133.75(12) . 1_556 ? Bi3 X3 O11 40.0(11) . 9_766 ? O7B X3 O11 64.14(14) . 9_766 ? O3 X3 O11 67.84(4) 9_766 9_766 ? O7A X3 O11 70.99(11) . 9_766 ? O6 X3 O11 130.97(6) 1_556 9_766 ? Bi3 X3 O7A 99.8(9) . 4_565 ? O7B X3 O7A 135.28(11) . 4_565 ? O3 X3 O7A 62.37(5) 9_766 4_565 ? O7A X3 O7A 136.76(12) . 4_565 ? O6 X3 O7A 76.10(7) 1_556 4_565 ? O11 X3 O7A 116.45(8) 9_766 4_565 ? Bi3 X3 O8 101.6(11) . 1_556 ? O7B X3 O8 88.58(6) . 1_556 ? O3 X3 O8 78.54(4) 9_766 1_556 ? O7A X3 O8 88.76(5) . 1_556 ? O6 X3 O8 74.11(7) 1_556 1_556 ? O11 X3 O8 63.79(3) 9_766 1_556 ? O7A X3 O8 133.86(8) 4_565 1_556 ? Bi3 X3 O7B 28.6(11) . 7_556 ? O7B X3 O7B 67.2(2) . 7_556 ? O3 X3 O7B 84.51(8) 9_766 7_556 ? O7A X3 O7B 72.80(17) . 7_556 ? O6 X3 O7B 149.57(12) 1_556 7_556 ? O11 X3 O7B 64.72(14) 9_766 7_556 ? O7A X3 O7B 73.49(13) 4_565 7_556 ? O8 X3 O7B 128.46(14) 1_556 7_556 ? Bi3 X3 O10 117.9(11) . . ? O7B X3 O10 87.76(13) . . ? O3 X3 O10 138.44(7) 9_766 . ? O7A X3 O10 81.26(10) . . ? O6 X3 O10 73.63(12) 1_556 . ? O11 X3 O10 151.57(11) 9_766 . ? O7A X3 O10 79.90(6) 4_565 . ? O8 X3 O10 122.94(13) 1_556 . ? O7B X3 O10 101.72(16) 7_556 . ? Bi3 X3 O7A 35.5(11) . 7_556 ? O7B X3 O7A 71.91(17) . 7_556 ? O3 X3 O7A 84.53(7) 9_766 7_556 ? O7A X3 O7A 76.92(15) . 7_556 ? O6 X3 O7A 143.35(9) 1_556 7_556 ? O11 X3 O7A 71.18(11) 9_766 7_556 ? O7A X3 O7A 67.32(11) 4_565 7_556 ? O8 X3 O7A 134.97(12) 1_556 7_556 ? O7B X3 O7A 6.95(7) 7_556 7_556 ? O10 X3 O7A 97.09(14) . 7_556 ? Bi3 X3 T1 11.6(9) . 9_666 ? O7B X3 T1 39.96(15) . 9_666 ? O3 X3 T1 93.49(9) 9_766 9_666 ? O7A X3 T1 47.55(12) . 9_666 ? O6 X3 T1 167.21(9) 1_556 9_666 ? O11 X3 T1 36.70(9) 9_766 9_666 ? O7A X3 T1 111.30(10) 4_565 9_666 ? O8 X3 T1 93.66(8) 1_556 9_666 ? O7B X3 T1 39.04(14) 7_556 9_666 ? O10 X3 T1 117.28(14) . 9_666 ? O7A X3 T1 45.86(11) 7_556 9_666 ? Bi3 X3 Cl 109.7(13) . . ? O7B X3 Cl 84.2(2) . . ? O3 X3 Cl 138.46(7) 9_766 . ? O7A X3 Cl 78.32(19) . . ? O6 X3 Cl 81.4(5) 1_556 . ? O11 X3 Cl 146.0(4) 9_766 . ? O7A X3 Cl 77.08(17) 4_565 . ? O8 X3 Cl 130.8(5) 1_556 . ? O7B X3 Cl 92.8(5) 7_556 . ? O10 X3 Cl 8.9(4) . . ? O7A X3 Cl 88.2(5) 7_556 . ? T1 X3 Cl 110.1(4) 9_666 . ? Bi3 X3 O7B 99.8(9) . 4_565 ? O7B X3 O7B 134.95(14) . 4_565 ? O3 X3 O7B 62.95(5) 9_766 4_565 ? O7A X3 O7B 136.35(9) . 4_565 ? O6 X3 O7B 76.17(7) 1_556 4_565 ? O11 X3 O7B 116.86(8) 9_766 4_565 ? O7A X3 O7B 0.58(8) 4_565 4_565 ? O8 X3 O7B 134.35(8) 1_556 4_565 ? O7B X3 O7B 73.43(14) 7_556 4_565 ? O10 X3 O7B 79.36(7) . 4_565 ? O7A X3 O7B 67.23(10) 7_556 4_565 ? T1 X3 O7B 111.34(9) 9_666 4_565 ? Cl X3 O7B 76.52(17) . 4_565 ? Bi3 X3 O6 123.0(8) . 3_656 ? O7B X3 O6 75.52(12) . 3_656 ? O3 X3 O6 129.36(9) 9_766 3_656 ? O7A X3 O6 69.26(9) . 3_656 ? O6 X3 O6 65.28(7) 1_556 3_656 ? O11 X3 O6 107.47(3) 9_766 3_656 ? O7A X3 O6 134.16(11) 4_565 3_656 ? O8 X3 O6 57.42(4) 1_556 3_656 ? O7B X3 O6 141.52(10) 7_556 3_656 ? O10 X3 O6 66.61(10) . 3_656 ? O7A X3 O6 144.07(8) 7_556 3_656 ? T1 X3 O6 111.56(4) 9_666 3_656 ? Cl X3 O6 73.7(4) . 3_656 ? O7B X3 O6 133.90(10) 4_565 3_656 ? Bi3 X3 Y1 151.3(9) . 1_556 ? O7B X3 Y1 103.62(14) . 1_556 ? O3 X3 Y1 121.87(10) 9_766 1_556 ? O7A X3 Y1 96.00(11) . 1_556 ? O6 X3 Y1 41.32(5) 1_556 1_556 ? O11 X3 Y1 146.41(5) 9_766 1_556 ? O7A X3 Y1 94.47(8) 4_565 1_556 ? O8 X3 Y1 85.70(7) 1_556 1_556 ? O7B X3 Y1 142.44(10) 7_556 1_556 ? O10 X3 Y1 40.71(12) . 1_556 ? O7A X3 Y1 137.55(8) 7_556 1_556 ? T1 X3 Y1 143.52(5) 9_666 1_556 ? Cl X3 Y1 49.7(5) . 1_556 ? O7B X3 Y1 94.18(8) 4_565 1_556 ? O6 X3 Y1 39.89(4) 3_656 1_556 ? Bi3 X3 Z2 95.5(8) . 4_665 ? O7B X3 Z2 144.74(16) . 4_665 ? O3 X3 Z2 31.15(2) 9_766 4_665 ? O7A X3 Z2 151.35(14) . 4_665 ? O6 X3 Z2 74.66(5) 1_556 4_665 ? O11 X3 Z2 93.27(4) 9_766 4_665 ? O7A X3 Z2 31.30(4) 4_565 4_665 ? O8 X3 Z2 105.97(4) 1_556 4_665 ? O7B X3 Z2 78.87(9) 7_556 4_665 ? O10 X3 Z2 109.07(4) . 4_665 ? O7A X3 Z2 75.33(7) 7_556 4_665 ? T1 X3 Z2 105.96(7) 9_666 4_665 ? Cl X3 Z2 107.65(10) . 4_665 ? O7B X3 Z2 31.88(5) 4_565 4_665 ? O6 X3 Z2 139.36(10) 3_656 4_665 ? Y1 X3 Z2 109.26(7) 1_556 4_665 ? Bi3 X3 Y1A 153.5(8) . 1_556 ? O7B X3 Y1A 104.83(14) . 1_556 ? O3 X3 Y1A 119.57(10) 9_766 1_556 ? O7A X3 Y1A 97.27(11) . 1_556 ? O6 X3 Y1A 38.99(5) 1_556 1_556 ? O11 X3 Y1A 143.85(5) 9_766 1_556 ? O7A X3 Y1A 95.76(8) 4_565 1_556 ? O8 X3 Y1A 82.38(7) 1_556 1_556 ? O7B X3 Y1A 146.04(10) 7_556 1_556 ? O10 X3 Y1A 44.32(13) . 1_556 ? O7A X3 Y1A 141.12(8) 7_556 1_556 ? T1 X3 Y1A 144.79(4) 9_666 1_556 ? Cl X3 Y1A 53.3(5) . 1_556 ? O7B X3 Y1A 95.50(8) 4_565 1_556 ? O6 X3 Y1A 38.41(4) 3_656 1_556 ? Y1 X3 Y1A 3.61(5) 1_556 1_556 ? Z2 X3 Y1A 108.77(7) 4_665 1_556 ? Bi3 X3 Z3 117.3(10) . 7_556 ? O7B X3 Z3 83.54(8) . 7_556 ? O3 X3 Z3 102.93(5) 9_766 7_556 ? O7A X3 Z3 80.13(6) . 7_556 ? O6 X3 Z3 64.31(6) 1_556 7_556 ? O11 X3 Z3 86.74(2) 9_766 7_556 ? O7A X3 Z3 139.83(11) 4_565 7_556 ? O8 X3 Z3 28.49(3) 1_556 7_556 ? O7B X3 Z3 145.56(14) 7_556 7_556 ? O10 X3 Z3 94.65(12) . 7_556 ? O7A X3 Z3 152.24(11) 7_556 7_556 ? T1 X3 Z3 106.54(5) 9_666 7_556 ? Cl X3 Z3 102.3(5) . 7_556 ? O7B X3 Z3 139.99(11) 4_565 7_556 ? O6 X3 Z3 29.14(2) 3_656 7_556 ? Y1 X3 Z3 60.14(5) 1_556 7_556 ? Z2 X3 Z3 123.90(6) 4_665 7_556 ? Y1A X3 Z3 57.25(4) 1_556 7_556 ? Bi3 X3 Y3AL 57.1(10) . 9_766 ? O7B X3 Y3AL 96.32(15) . 9_766 ? O3 X3 Y3AL 34.82(3) 9_766 9_766 ? O7A X3 Y3AL 103.60(12) . 9_766 ? O6 X3 Y3AL 110.34(5) 1_556 9_766 ? O11 X3 Y3AL 33.44(2) 9_766 9_766 ? O7A X3 Y3AL 87.61(5) 4_565 9_766 ? O8 X3 Y3AL 71.06(2) 1_556 9_766 ? O7B X3 Y3AL 67.61(9) 7_556 9_766 ? O10 X3 Y3AL 165.64(10) . 9_766 ? O7A X3 Y3AL 71.34(8) 7_556 9_766 ? T1 X3 Y3AL 60.91(8) 9_666 9_766 ? Cl X3 Y3AL 158.1(5) . 9_766 ? O7B X3 Y3AL 88.12(5) 4_565 9_766 ? O6 X3 Y3AL 127.74(3) 3_656 9_766 ? Y1 X3 Y3AL 148.93(8) 1_556 9_766 ? Z2 X3 Y3AL 60.506(16) 4_665 9_766 ? Y1A X3 Y3AL 145.49(7) 1_556 9_766 ? Z3 X3 Y3AL 99.487(15) 7_556 9_766 ? X3 Bi3 O7B 121.2(11) . . ? X3 Bi3 O11 132.4(10) . 9_766 ? O7B Bi3 O11 74.2(7) . 9_766 ? X3 Bi3 O7B 145.8(15) . 7_556 ? O7B Bi3 O7B 79.2(6) . 7_556 ? O11 Bi3 O7B 77.0(8) 9_766 7_556 ? X3 Bi3 O7A 113.3(11) . . ? O7B Bi3 O7A 8.26(9) . . ? O11 Bi3 O7A 81.3(7) 9_766 . ? O7B Bi3 O7A 84.8(6) 7_556 . ? X3 Bi3 T1 166.1(10) . 9_666 ? O7B Bi3 T1 47.2(4) . 9_666 ? O11 Bi3 T1 43.5(5) 9_766 9_666 ? O7B Bi3 T1 46.8(5) 7_556 9_666 ? O7A Bi3 T1 55.3(5) . 9_666 ? X3 Bi3 O7A 138.0(15) . 7_556 ? O7B Bi3 O7A 84.0(6) . 7_556 ? O11 Bi3 O7A 84.1(8) 9_766 7_556 ? O7B Bi3 O7A 7.84(10) 7_556 7_556 ? O7A Bi3 O7A 88.9(6) . 7_556 ? T1 Bi3 O7A 54.4(5) 9_666 7_556 ? X3 Bi3 O3 82.6(8) . 9_766 ? O7B Bi3 O3 147.1(10) . 9_766 ? O11 Bi3 O3 72.9(4) 9_766 9_766 ? O7B Bi3 O3 93.0(5) 7_556 9_766 ? O7A Bi3 O3 153.9(9) . 9_766 ? T1 Bi3 O3 105.2(8) 9_666 9_766 ? O7A Bi3 O3 92.2(4) 7_556 9_766 ? X3 Bi3 O7A 70.5(12) . 4_565 ? O7B Bi3 O7A 144.9(3) . 4_565 ? O11 Bi3 O7A 124.8(5) 9_766 4_565 ? O7B Bi3 O7A 77.8(2) 7_556 4_565 ? O7A Bi3 O7A 143.0(3) . 4_565 ? T1 Bi3 O7A 123.3(5) 9_666 4_565 ? O7A Bi3 O7A 70.72(18) 7_556 4_565 ? O3 Bi3 O7A 60.5(2) 9_766 4_565 ? X3 Bi3 O8 69.0(8) . 1_556 ? O7B Bi3 O8 91.1(3) . 1_556 ? O11 Bi3 O8 65.7(2) 9_766 1_556 ? O7B Bi3 O8 142.7(10) 7_556 1_556 ? O7A Bi3 O8 90.3(2) . 1_556 ? T1 Bi3 O8 101.3(6) 9_666 1_556 ? O7A Bi3 O8 149.6(10) 7_556 1_556 ? O3 Bi3 O8 75.82(16) 9_766 1_556 ? O7A Bi3 O8 122.9(6) 4_565 1_556 ? X3 Bi3 O10 54.1(13) . . ? O7B Bi3 O10 87.2(3) . . ? O11 Bi3 O10 160.7(4) 9_766 . ? O7B Bi3 O10 105.1(3) 7_556 . ? O7A Bi3 O10 79.8(3) . . ? T1 Bi3 O10 124.6(3) 9_666 . ? O7A Bi3 O10 99.4(3) 7_556 . ? O3 Bi3 O10 125.6(8) 9_766 . ? O7A Bi3 O10 73.8(5) 4_565 . ? O8 Bi3 O10 110.3(7) 1_556 . ? X3 Bi3 Cl 61.9(15) . . ? O7B Bi3 Cl 84.7(3) . . ? O11 Bi3 Cl 158.7(6) 9_766 . ? O7B Bi3 Cl 96.7(6) 7_556 . ? O7A Bi3 Cl 77.9(3) . . ? T1 Bi3 Cl 118.2(5) 9_666 . ? O7A Bi3 Cl 91.1(6) 7_556 . ? O3 Bi3 Cl 128.2(8) 9_766 . ? O7A Bi3 Cl 72.2(4) 4_565 . ? O8 Bi3 Cl 118.4(8) 1_556 . ? O10 Bi3 Cl 8.4(4) . . ? X3 Bi3 O7B 71.5(12) . 4_565 ? O7B Bi3 O7B 143.9(3) . 4_565 ? O11 Bi3 O7B 124.6(4) 9_766 4_565 ? O7B Bi3 O7B 76.7(2) 7_556 4_565 ? O7A Bi3 O7B 142.2(3) . 4_565 ? T1 Bi3 O7B 122.3(5) 9_666 4_565 ? O7A Bi3 O7B 69.60(18) 7_556 4_565 ? O3 Bi3 O7B 61.0(2) 9_766 4_565 ? O7A Bi3 O7B 1.15(8) 4_565 4_565 ? O8 Bi3 O7B 124.0(5) 1_556 4_565 ? O10 Bi3 O7B 73.9(4) . 4_565 ? Cl Bi3 O7B 72.1(4) . 4_565 ? X3 Bi3 Bi3 135.8(11) . 7_556 ? O7B Bi3 Bi3 42.85(16) . 7_556 ? O11 Bi3 Bi3 87.8(3) 9_766 7_556 ? O7B Bi3 Bi3 41.9(2) 7_556 7_556 ? O7A Bi3 Bi3 45.9(2) . 7_556 ? T1 Bi3 Bi3 44.3(2) 9_666 7_556 ? O7A Bi3 Bi3 44.2(3) 7_556 7_556 ? O3 Bi3 Bi3 134.5(6) 9_766 7_556 ? O7A Bi3 Bi3 104.1(4) 4_565 7_556 ? O8 Bi3 Bi3 132.9(3) 1_556 7_556 ? O10 Bi3 Bi3 81.9(3) . 7_556 ? Cl Bi3 Bi3 74.6(6) . 7_556 ? O7B Bi3 Bi3 103.0(4) 4_565 7_556 ? X3 Bi3 Z2 76.5(9) . 4_665 ? O7B Bi3 Z2 161.5(9) . 4_665 ? O11 Bi3 Z2 98.0(3) 9_766 4_665 ? O7B Bi3 Z2 82.8(2) 7_556 4_665 ? O7A Bi3 Z2 167.3(6) . 4_665 ? T1 Bi3 Z2 116.0(6) 9_666 4_665 ? O7A Bi3 Z2 78.48(18) 7_556 4_665 ? O3 Bi3 Z2 30.05(11) 9_766 4_665 ? O7A Bi3 Z2 30.56(9) 4_565 4_665 ? O8 Bi3 Z2 101.0(3) 1_556 4_665 ? O10 Bi3 Z2 101.3(6) . 4_665 ? Cl Bi3 Z2 101.4(5) . 4_665 ? O7B Bi3 Z2 31.02(10) 4_565 4_665 ? Bi3 Bi3 Z2 121.6(4) 7_556 4_665 ? X3 Bi3 Y3AL 116.2(9) . 9_766 ? O7B Bi3 Y3AL 109.0(8) . 9_766 ? O11 Bi3 Y3AL 35.76(19) 9_766 9_766 ? O7B Bi3 Y3AL 75.8(5) 7_556 9_766 ? O7A Bi3 Y3AL 116.5(8) . 9_766 ? T1 Bi3 Y3AL 68.3(5) 9_666 9_766 ? O7A Bi3 Y3AL 79.8(5) 7_556 9_766 ? O3 Bi3 Y3AL 38.6(2) 9_766 9_766 ? O7A Bi3 Y3AL 90.6(2) 4_565 9_766 ? O8 Bi3 Y3AL 73.5(3) 1_556 9_766 ? O10 Bi3 Y3AL 163.5(5) . 9_766 ? Cl Bi3 Y3AL 162.4(3) . 9_766 ? O7B Bi3 Y3AL 90.60(18) 4_565 9_766 ? Bi3 Bi3 Y3AL 107.5(4) 7_556 9_766 ? Z2 Bi3 Y3AL 62.27(14) 4_665 9_766 ? X3 Bi3 Y3MN 116.2(9) . 9_766 ? O7B Bi3 Y3MN 109.0(8) . 9_766 ? O11 Bi3 Y3MN 35.76(19) 9_766 9_766 ? O7B Bi3 Y3MN 75.8(5) 7_556 9_766 ? O7A Bi3 Y3MN 116.5(8) . 9_766 ? T1 Bi3 Y3MN 68.3(5) 9_666 9_766 ? O7A Bi3 Y3MN 79.8(5) 7_556 9_766 ? O3 Bi3 Y3MN 38.6(2) 9_766 9_766 ? O7A Bi3 Y3MN 90.6(2) 4_565 9_766 ? O8 Bi3 Y3MN 73.5(3) 1_556 9_766 ? O10 Bi3 Y3MN 163.5(5) . 9_766 ? Cl Bi3 Y3MN 162.4(3) . 9_766 ? O7B Bi3 Y3MN 90.60(18) 4_565 9_766 ? Bi3 Bi3 Y3MN 107.5(4) 7_556 9_766 ? Z2 Bi3 Y3MN 62.27(14) 4_665 9_766 ? Y3AL Bi3 Y3MN 0.000(11) 9_766 9_766 ? X3 Bi3 Y2 103.8(10) . 1_666 ? O7B Bi3 Y2 74.4(4) . 1_666 ? O11 Bi3 Y2 32.14(11) 9_766 1_666 ? O7B Bi3 Y2 108.4(8) 7_556 1_666 ? O7A Bi3 Y2 78.1(4) . 1_666 ? T1 Bi3 Y2 67.5(5) 9_666 1_666 ? O7A Bi3 Y2 115.9(9) 7_556 1_666 ? O3 Bi3 Y2 78.0(3) 9_766 1_666 ? O7A Bi3 Y2 138.4(2) 4_565 1_666 ? O8 Bi3 Y2 34.84(16) 1_556 1_666 ? O10 Bi3 Y2 137.5(4) . 1_666 ? Cl Bi3 Y2 143.1(4) . 1_666 ? O7B Bi3 Y2 139.0(2) 4_565 1_666 ? Bi3 Bi3 Y2 106.7(3) 7_556 1_666 ? Z2 Bi3 Y2 108.0(2) 4_665 1_666 ? Y3AL Bi3 Y2 53.9(2) 9_766 1_666 ? Y3MN Bi3 Y2 53.9(2) 9_766 1_666 ? X3 Bi3 X3 131.8(14) . 7_556 ? O7B Bi3 X3 46.2(2) . 7_556 ? O11 Bi3 X3 92.6(7) 9_766 7_556 ? O7B Bi3 X3 42.1(2) 7_556 7_556 ? O7A Bi3 X3 48.4(2) . 7_556 ? T1 Bi3 X3 49.1(2) 9_666 7_556 ? O7A Bi3 X3 43.3(2) 7_556 7_556 ? O3 Bi3 X3 135.1(6) 9_766 7_556 ? O7A Bi3 X3 100.03(19) 4_565 7_556 ? O8 Bi3 X3 137.0(4) 1_556 7_556 ? O10 Bi3 X3 77.73(17) . 7_556 ? Cl Bi3 X3 70.2(5) . 7_556 ? O7B Bi3 X3 98.96(18) 4_565 7_556 ? Bi3 Bi3 X3 5.1(3) 7_556 7_556 ? Z2 Bi3 X3 119.2(2) 4_665 7_556 ? Y3AL Bi3 X3 110.9(6) 9_766 7_556 ? Y3MN Bi3 X3 110.9(6) 9_766 7_556 ? Y2 Bi3 X3 111.7(6) 1_666 7_556 ? X3 Bi3 X2CA 62.3(9) . 7_656 ? O7B Bi3 X2CA 128.5(3) . 7_656 ? O11 Bi3 X2CA 73.21(16) 9_766 7_656 ? O7B Bi3 X2CA 129.1(5) 7_556 7_656 ? O7A Bi3 X2CA 128.8(2) . 7_656 ? T1 Bi3 X2CA 116.7(5) 9_666 7_656 ? O7A Bi3 X2CA 130.2(4) 7_556 7_656 ? O3 Bi3 X2CA 39.09(13) 9_766 7_656 ? O7A Bi3 X2CA 86.7(3) 4_565 7_656 ? O8 Bi3 X2CA 38.86(11) 1_556 7_656 ? O10 Bi3 X2CA 116.5(7) . 7_656 ? Cl Bi3 X2CA 124.1(9) . 7_656 ? O7B Bi3 X2CA 87.6(3) 4_565 7_656 ? Bi3 Bi3 X2CA 161.0(4) 7_556 7_656 ? Z2 Bi3 X2CA 62.13(15) 4_665 7_656 ? Y3AL Bi3 X2CA 56.00(10) 9_766 7_656 ? Y3MN Bi3 X2CA 56.00(10) 9_766 7_656 ? Y2 Bi3 X2CA 56.93(9) 1_666 7_656 ? X3 Bi3 X2CA 165.6(7) 7_556 7_656 ? Y1A X4 Y1 0.0 . . ? Y1A X4 O6 63.76(3) . . ? Y1 X4 O6 63.76(3) . . ? Y1A X4 O6 63.76(3) . 4_565 ? Y1 X4 O6 63.76(3) . 4_565 ? O6 X4 O6 78.73(3) . 4_565 ? Y1A X4 O6 63.76(3) . 2_665 ? Y1 X4 O6 63.76(3) . 2_665 ? O6 X4 O6 127.52(7) . 2_665 ? O6 X4 O6 78.73(3) 4_565 2_665 ? Y1A X4 O6 63.76(3) . 3_655 ? Y1 X4 O6 63.76(3) . 3_655 ? O6 X4 O6 78.73(3) . 3_655 ? O6 X4 O6 127.52(7) 4_565 3_655 ? O6 X4 O6 78.73(3) 2_665 3_655 ? Y1A X4 X4 180.0 . 5_655 ? Y1 X4 X4 180.0 . 5_655 ? O6 X4 X4 116.24(3) . 5_655 ? O6 X4 X4 116.24(3) 4_565 5_655 ? O6 X4 X4 116.24(3) 2_665 5_655 ? O6 X4 X4 116.24(3) 3_655 5_655 ? Y1A X4 O9 119.31(2) . 2_665 ? Y1 X4 O9 119.31(2) . 2_665 ? O6 X4 O9 131.10(2) . 2_665 ? O6 X4 O9 64.57(2) 4_565 2_665 ? O6 X4 O9 77.03(3) 2_665 2_665 ? O6 X4 O9 149.59(2) 3_655 2_665 ? X4 X4 O9 60.69(2) 5_655 2_665 ? Y1A X4 O9 119.31(2) . 4_565 ? Y1 X4 O9 119.31(2) . 4_565 ? O6 X4 O9 64.56(2) . 4_565 ? O6 X4 O9 77.03(3) 4_565 4_565 ? O6 X4 O9 149.59(2) 2_665 4_565 ? O6 X4 O9 131.10(2) 3_655 4_565 ? X4 X4 O9 60.69(2) 5_655 4_565 ? O9 X4 O9 76.13(2) 2_665 4_565 ? Y1A X4 O9 119.31(2) . 3_655 ? Y1 X4 O9 119.31(2) . 3_655 ? O6 X4 O9 149.59(2) . 3_655 ? O6 X4 O9 131.10(2) 4_565 3_655 ? O6 X4 O9 64.57(2) 2_665 3_655 ? O6 X4 O9 77.03(3) 3_655 3_655 ? X4 X4 O9 60.69(2) 5_655 3_655 ? O9 X4 O9 76.13(2) 2_665 3_655 ? O9 X4 O9 121.37(5) 4_565 3_655 ? Y1A X4 O9 119.31(2) . . ? Y1 X4 O9 119.31(2) . . ? O6 X4 O9 77.03(3) . . ? O6 X4 O9 149.59(2) 4_565 . ? O6 X4 O9 131.10(2) 2_665 . ? O6 X4 O9 64.57(2) 3_655 . ? X4 X4 O9 60.69(2) 5_655 . ? O9 X4 O9 121.37(5) 2_665 . ? O9 X4 O9 76.13(2) 4_565 . ? O9 X4 O9 76.13(2) 3_655 . ? Y1A X4 Z3 88.79(2) . 8_665 ? Y1 X4 Z3 88.79(2) . 8_665 ? O6 X4 Z3 107.53(3) . 8_665 ? O6 X4 Z3 31.72(2) 4_565 8_665 ? O6 X4 Z3 71.34(2) 2_665 8_665 ? O6 X4 Z3 146.29(4) 3_655 8_665 ? X4 X4 Z3 91.21(2) 5_655 8_665 ? O9 X4 Z3 33.352(13) 2_665 8_665 ? O9 X4 Z3 78.385(9) 4_565 8_665 ? O9 X4 Z3 102.830(13) 3_655 8_665 ? O9 X4 Z3 148.87(4) . 8_665 ? Y1A X4 Z3 88.79(2) . 7 ? Y1 X4 Z3 88.79(2) . 7 ? O6 X4 Z3 71.34(2) . 7 ? O6 X4 Z3 146.29(4) 4_565 7 ? O6 X4 Z3 107.53(3) 2_665 7 ? O6 X4 Z3 31.72(2) 3_655 7 ? X4 X4 Z3 91.21(2) 5_655 7 ? O9 X4 Z3 148.87(4) 2_665 7 ? O9 X4 Z3 102.830(13) 4_565 7 ? O9 X4 Z3 78.385(9) 3_655 7 ? O9 X4 Z3 33.352(13) . 7 ? Z3 X4 Z3 177.57(4) 8_665 7 ? Y1A X4 Z3 88.79(2) . 5_655 ? Y1 X4 Z3 88.79(2) . 5_655 ? O6 X4 Z3 146.29(4) . 5_655 ? O6 X4 Z3 107.53(3) 4_565 5_655 ? O6 X4 Z3 31.72(2) 2_665 5_655 ? O6 X4 Z3 71.34(2) 3_655 5_655 ? X4 X4 Z3 91.21(2) 5_655 5_655 ? O9 X4 Z3 78.385(9) 2_665 5_655 ? O9 X4 Z3 148.87(4) 4_565 5_655 ? O9 X4 Z3 33.352(13) 3_655 5_655 ? O9 X4 Z3 102.830(13) . 5_655 ? Z3 X4 Z3 89.974(1) 8_665 5_655 ? Z3 X4 Z3 89.974(1) 7 5_655 ? Y1A X4 Z3 88.79(2) . 6_565 ? Y1 X4 Z3 88.79(2) . 6_565 ? O6 X4 Z3 31.72(2) . 6_565 ? O6 X4 Z3 71.34(2) 4_565 6_565 ? O6 X4 Z3 146.29(4) 2_665 6_565 ? O6 X4 Z3 107.53(3) 3_655 6_565 ? X4 X4 Z3 91.21(2) 5_655 6_565 ? O9 X4 Z3 102.830(13) 2_665 6_565 ? O9 X4 Z3 33.352(13) 4_565 6_565 ? O9 X4 Z3 148.87(4) 3_655 6_565 ? O9 X4 Z3 78.385(9) . 6_565 ? Z3 X4 Z3 89.974(1) 8_665 6_565 ? Z3 X4 Z3 89.974(1) 7 6_565 ? Z3 X4 Z3 177.57(4) 5_655 6_565 ? Y1A X4 Y1A 180.0 . 5_655 ? Y1 X4 Y1A 180.000(1) . 5_655 ? O6 X4 Y1A 116.24(3) . 5_655 ? O6 X4 Y1A 116.24(3) 4_565 5_655 ? O6 X4 Y1A 116.24(3) 2_665 5_655 ? O6 X4 Y1A 116.24(3) 3_655 5_655 ? X4 X4 Y1A 0.0 5_655 5_655 ? O9 X4 Y1A 60.69(2) 2_665 5_655 ? O9 X4 Y1A 60.69(2) 4_565 5_655 ? O9 X4 Y1A 60.69(2) 3_655 5_655 ? O9 X4 Y1A 60.69(2) . 5_655 ? Z3 X4 Y1A 91.21(2) 8_665 5_655 ? Z3 X4 Y1A 91.21(2) 7 5_655 ? Z3 X4 Y1A 91.21(2) 5_655 5_655 ? Z3 X4 Y1A 91.21(2) 6_565 5_655 ? Y1A X4 X3 41.532(15) . 2_664 ? Y1 X4 X3 41.532(15) . 2_664 ? O6 X4 X3 98.70(4) . 2_664 ? O6 X4 X3 47.24(3) 4_565 2_664 ? O6 X4 X3 35.59(3) 2_665 2_664 ? O6 X4 X3 90.98(3) 3_655 2_664 ? X4 X4 X3 138.468(15) 5_655 2_664 ? O9 X4 X3 79.791(18) 2_665 2_664 ? O9 X4 X3 124.26(2) 4_565 2_664 ? O9 X4 X3 99.79(2) 3_655 2_664 ? O9 X4 X3 155.54(3) . 2_664 ? Z3 X4 X3 55.533(13) 8_665 2_664 ? Z3 X4 X3 122.29(3) 7 2_664 ? Z3 X4 X3 67.31(2) 5_655 2_664 ? Z3 X4 X3 110.74(3) 6_565 2_664 ? Y1A X4 X3 138.468(15) 5_655 2_664 ? Y1A X4 X3 41.532(15) . 4_564 ? Y1 X4 X3 41.532(15) . 4_564 ? O6 X4 X3 47.23(3) . 4_564 ? O6 X4 X3 35.59(3) 4_565 4_564 ? O6 X4 X3 90.98(3) 2_665 4_564 ? O6 X4 X3 98.70(4) 3_655 4_564 ? X4 X4 X3 138.468(15) 5_655 4_564 ? O9 X4 X3 99.79(2) 2_665 4_564 ? O9 X4 X3 79.791(18) 4_565 4_564 ? O9 X4 X3 155.54(3) 3_655 4_564 ? O9 X4 X3 124.26(2) . 4_564 ? Z3 X4 X3 67.31(2) 8_665 4_564 ? Z3 X4 X3 110.74(3) 7 4_564 ? Z3 X4 X3 122.29(3) 5_655 4_564 ? Z3 X4 X3 55.533(13) 6_565 4_564 ? Y1A X4 X3 138.468(15) 5_655 4_564 ? X3 X4 X3 55.918(18) 2_664 4_564 ? Y1A X4 X3 41.532(15) . 3_654 ? Y1 X4 X3 41.532(15) . 3_654 ? O6 X4 X3 90.98(3) . 3_654 ? O6 X4 X3 98.70(4) 4_565 3_654 ? O6 X4 X3 47.24(3) 2_665 3_654 ? O6 X4 X3 35.59(3) 3_655 3_654 ? X4 X4 X3 138.468(15) 5_655 3_654 ? O9 X4 X3 124.26(2) 2_665 3_654 ? O9 X4 X3 155.54(3) 4_565 3_654 ? O9 X4 X3 79.791(18) 3_655 3_654 ? O9 X4 X3 99.79(2) . 3_654 ? Z3 X4 X3 110.74(3) 8_665 3_654 ? Z3 X4 X3 67.31(2) 7 3_654 ? Z3 X4 X3 55.533(13) 5_655 3_654 ? Z3 X4 X3 122.29(3) 6_565 3_654 ? Y1A X4 X3 138.468(15) 5_655 3_654 ? X3 X4 X3 55.918(18) 2_664 3_654 ? X3 X4 X3 83.06(3) 4_564 3_654 ? Y1A X4 X3 41.532(15) . 1_554 ? Y1 X4 X3 41.532(15) . 1_554 ? O6 X4 X3 35.59(3) . 1_554 ? O6 X4 X3 90.98(3) 4_565 1_554 ? O6 X4 X3 98.70(4) 2_665 1_554 ? O6 X4 X3 47.24(3) 3_655 1_554 ? X4 X4 X3 138.468(15) 5_655 1_554 ? O9 X4 X3 155.54(3) 2_665 1_554 ? O9 X4 X3 99.79(2) 4_565 1_554 ? O9 X4 X3 124.26(2) 3_655 1_554 ? O9 X4 X3 79.790(18) . 1_554 ? Z3 X4 X3 122.29(3) 8_665 1_554 ? Z3 X4 X3 55.533(13) 7 1_554 ? Z3 X4 X3 110.74(3) 5_655 1_554 ? Z3 X4 X3 67.31(2) 6_565 1_554 ? Y1A X4 X3 138.468(15) 5_655 1_554 ? X3 X4 X3 83.06(3) 2_664 1_554 ? X3 X4 X3 55.918(18) 4_564 1_554 ? X3 X4 X3 55.918(18) 3_654 1_554 ? X4 Y1A O6 91.79(6) . . ? X4 Y1A O6 91.79(6) . 4_565 ? O6 Y1A O6 89.943(4) . 4_565 ? X4 Y1A O6 91.79(6) . 3_655 ? O6 Y1A O6 89.946(4) . 3_655 ? O6 Y1A O6 176.42(12) 4_565 3_655 ? X4 Y1A O6 91.79(6) . 2_665 ? O6 Y1A O6 176.42(12) . 2_665 ? O6 Y1A O6 89.944(4) 4_565 2_665 ? O6 Y1A O6 89.944(4) 3_655 2_665 ? X4 Y1A O10 180.000(2) . 1_554 ? O6 Y1A O10 88.21(6) . 1_554 ? O6 Y1A O10 88.21(6) 4_565 1_554 ? O6 Y1A O10 88.21(6) 3_655 1_554 ? O6 Y1A O10 88.21(6) 2_665 1_554 ? X4 Y1A Cl 180.000(7) . 1_554 ? O6 Y1A Cl 88.21(6) . 1_554 ? O6 Y1A Cl 88.21(6) 4_565 1_554 ? O6 Y1A Cl 88.21(6) 3_655 1_554 ? O6 Y1A Cl 88.21(6) 2_665 1_554 ? O10 Y1A Cl 0.000(1) 1_554 1_554 ? X4 Y1A X3 127.36(3) . 2_664 ? O6 Y1A X3 128.71(7) . 2_664 ? O6 Y1A X3 61.06(4) 4_565 2_664 ? O6 Y1A X3 116.49(5) 3_655 2_664 ? O6 Y1A X3 48.46(4) 2_665 2_664 ? O10 Y1A X3 52.64(3) 1_554 2_664 ? Cl Y1A X3 52.64(3) 1_554 2_664 ? X4 Y1A X3 127.36(3) . 4_564 ? O6 Y1A X3 61.06(4) . 4_564 ? O6 Y1A X3 48.46(4) 4_565 4_564 ? O6 Y1A X3 128.71(7) 3_655 4_564 ? O6 Y1A X3 116.49(5) 2_665 4_564 ? O10 Y1A X3 52.64(3) 1_554 4_564 ? Cl Y1A X3 52.64(3) 1_554 4_564 ? X3 Y1A X3 68.40(4) 2_664 4_564 ? X4 Y1A X3 127.36(3) . 1_554 ? O6 Y1A X3 48.46(4) . 1_554 ? O6 Y1A X3 116.49(5) 4_565 1_554 ? O6 Y1A X3 61.06(4) 3_655 1_554 ? O6 Y1A X3 128.71(7) 2_665 1_554 ? O10 Y1A X3 52.64(3) 1_554 1_554 ? Cl Y1A X3 52.64(3) 1_554 1_554 ? X3 Y1A X3 105.29(7) 2_664 1_554 ? X3 Y1A X3 68.40(4) 4_564 1_554 ? X4 Y1A X3 127.36(3) . 3_654 ? O6 Y1A X3 116.49(5) . 3_654 ? O6 Y1A X3 128.71(7) 4_565 3_654 ? O6 Y1A X3 48.46(4) 3_655 3_654 ? O6 Y1A X3 61.06(4) 2_665 3_654 ? O10 Y1A X3 52.64(3) 1_554 3_654 ? Cl Y1A X3 52.64(3) 1_554 3_654 ? X3 Y1A X3 68.40(4) 2_664 3_654 ? X3 Y1A X3 105.29(7) 4_564 3_654 ? X3 Y1A X3 68.40(4) 1_554 3_654 ? X4 Y1A X4 0.0 . 5_655 ? O6 Y1A X4 91.79(6) . 5_655 ? O6 Y1A X4 91.79(6) 4_565 5_655 ? O6 Y1A X4 91.79(6) 3_655 5_655 ? O6 Y1A X4 91.79(6) 2_665 5_655 ? O10 Y1A X4 180.0 1_554 5_655 ? Cl Y1A X4 180.000(1) 1_554 5_655 ? X3 Y1A X4 127.36(3) 2_664 5_655 ? X3 Y1A X4 127.36(3) 4_564 5_655 ? X3 Y1A X4 127.36(3) 1_554 5_655 ? X3 Y1A X4 127.36(3) 3_654 5_655 ? X4 Y1 O10 180.000(1) . 1_554 ? X4 Y1 O6 84.92(6) . . ? O10 Y1 O6 95.08(6) 1_554 . ? X4 Y1 O6 84.92(6) . 3_655 ? O10 Y1 O6 95.08(6) 1_554 3_655 ? O6 Y1 O6 89.552(10) . 3_655 ? X4 Y1 O6 84.92(6) . 4_565 ? O10 Y1 O6 95.08(6) 1_554 4_565 ? O6 Y1 O6 89.549(10) . 4_565 ? O6 Y1 O6 169.84(11) 3_655 4_565 ? X4 Y1 O6 84.92(6) . 2_665 ? O10 Y1 O6 95.08(6) 1_554 2_665 ? O6 Y1 O6 169.84(11) . 2_665 ? O6 Y1 O6 89.550(10) 3_655 2_665 ? O6 Y1 O6 89.550(10) 4_565 2_665 ? X4 Y1 Cl 180.000(6) . 1_554 ? O10 Y1 Cl 0.000(1) 1_554 1_554 ? O6 Y1 Cl 95.08(6) . 1_554 ? O6 Y1 Cl 95.08(6) 3_655 1_554 ? O6 Y1 Cl 95.08(6) 4_565 1_554 ? O6 Y1 Cl 95.08(6) 2_665 1_554 ? X4 Y1 X3 123.75(4) . 2_664 ? O10 Y1 X3 56.25(4) 1_554 2_664 ? O6 Y1 X3 136.12(6) . 2_664 ? O6 Y1 X3 122.27(5) 3_655 2_664 ? O6 Y1 X3 64.19(4) 4_565 2_664 ? O6 Y1 X3 51.51(4) 2_665 2_664 ? Cl Y1 X3 56.25(4) 1_554 2_664 ? X4 Y1 X3 123.75(4) . 4_564 ? O10 Y1 X3 56.25(4) 1_554 4_564 ? O6 Y1 X3 64.19(4) . 4_564 ? O6 Y1 X3 136.12(6) 3_655 4_564 ? O6 Y1 X3 51.51(4) 4_565 4_564 ? O6 Y1 X3 122.27(5) 2_665 4_564 ? Cl Y1 X3 56.25(4) 1_554 4_564 ? X3 Y1 X3 72.02(4) 2_664 4_564 ? X4 Y1 X3 123.75(4) . 1_554 ? O10 Y1 X3 56.25(4) 1_554 1_554 ? O6 Y1 X3 51.51(4) . 1_554 ? O6 Y1 X3 64.19(4) 3_655 1_554 ? O6 Y1 X3 122.27(5) 4_565 1_554 ? O6 Y1 X3 136.12(6) 2_665 1_554 ? Cl Y1 X3 56.25(4) 1_554 1_554 ? X3 Y1 X3 112.50(7) 2_664 1_554 ? X3 Y1 X3 72.02(4) 4_564 1_554 ? X4 Y1 X3 123.75(4) . 3_654 ? O10 Y1 X3 56.25(4) 1_554 3_654 ? O6 Y1 X3 122.27(5) . 3_654 ? O6 Y1 X3 51.51(4) 3_655 3_654 ? O6 Y1 X3 136.12(6) 4_565 3_654 ? O6 Y1 X3 64.19(4) 2_665 3_654 ? Cl Y1 X3 56.25(4) 1_554 3_654 ? X3 Y1 X3 72.02(4) 2_664 3_654 ? X3 Y1 X3 112.50(7) 4_564 3_654 ? X3 Y1 X3 72.02(4) 1_554 3_654 ? O11 Y2 O11 180.00(7) 9_655 1_455 ? O11 Y2 O8 90.39(4) 9_655 9_665 ? O11 Y2 O8 89.61(4) 1_455 9_665 ? O11 Y2 O8 89.61(4) 9_655 1_445 ? O11 Y2 O8 90.39(4) 1_455 1_445 ? O8 Y2 O8 180.00(7) 9_665 1_445 ? O11 Y2 O4 96.32(3) 9_655 15_565 ? O11 Y2 O4 83.68(3) 1_455 15_565 ? O8 Y2 O4 88.44(3) 9_665 15_565 ? O8 Y2 O4 91.56(3) 1_445 15_565 ? O11 Y2 O4 83.68(3) 9_655 7_545 ? O11 Y2 O4 96.32(3) 1_455 7_545 ? O8 Y2 O4 91.56(3) 9_665 7_545 ? O8 Y2 O4 88.44(3) 1_445 7_545 ? O4 Y2 O4 180.00(7) 15_565 7_545 ? O11 Y2 Y3MN 39.70(3) 9_655 9_655 ? O11 Y2 Y3MN 140.30(3) 1_455 9_655 ? O8 Y2 Y3MN 88.63(2) 9_665 9_655 ? O8 Y2 Y3MN 91.37(2) 1_445 9_655 ? O4 Y2 Y3MN 135.88(3) 15_565 9_655 ? O4 Y2 Y3MN 44.12(3) 7_545 9_655 ? O11 Y2 Y3AL 140.30(3) 9_655 1_455 ? O11 Y2 Y3AL 39.70(3) 1_455 1_455 ? O8 Y2 Y3AL 91.37(2) 9_665 1_455 ? O8 Y2 Y3AL 88.63(2) 1_445 1_455 ? O4 Y2 Y3AL 44.12(3) 15_565 1_455 ? O4 Y2 Y3AL 135.88(3) 7_545 1_455 ? Y3MN Y2 Y3AL 180.000(17) 9_655 1_455 ? O11 Y2 Y3AL 39.70(3) 9_655 9_655 ? O11 Y2 Y3AL 140.30(3) 1_455 9_655 ? O8 Y2 Y3AL 88.63(2) 9_665 9_655 ? O8 Y2 Y3AL 91.37(2) 1_445 9_655 ? O4 Y2 Y3AL 135.88(3) 15_565 9_655 ? O4 Y2 Y3AL 44.12(3) 7_545 9_655 ? Y3MN Y2 Y3AL 0.000(17) 9_655 9_655 ? Y3AL Y2 Y3AL 180.000(14) 1_455 9_655 ? O11 Y2 Y3MN 140.30(3) 9_655 1_455 ? O11 Y2 Y3MN 39.70(3) 1_455 1_455 ? O8 Y2 Y3MN 91.37(2) 9_665 1_455 ? O8 Y2 Y3MN 88.63(2) 1_445 1_455 ? O4 Y2 Y3MN 44.12(3) 15_565 1_455 ? O4 Y2 Y3MN 135.88(3) 7_545 1_455 ? Y3MN Y2 Y3MN 180.000(17) 9_655 1_455 ? Y3AL Y2 Y3MN 0.000(17) 1_455 1_455 ? Y3AL Y2 Y3MN 180.000(17) 9_655 1_455 ? O11 Y2 Bi3 37.7(4) 9_655 1_444 ? O11 Y2 Bi3 142.3(4) 1_455 1_444 ? O8 Y2 Bi3 126.2(4) 9_665 1_444 ? O8 Y2 Bi3 53.8(4) 1_445 1_444 ? O4 Y2 Bi3 85.88(10) 15_565 1_444 ? O4 Y2 Bi3 94.12(10) 7_545 1_444 ? Y3MN Y2 Bi3 61.32(19) 9_655 1_444 ? Y3AL Y2 Bi3 118.68(19) 1_455 1_444 ? Y3AL Y2 Bi3 61.32(19) 9_655 1_444 ? Y3MN Y2 Bi3 118.68(19) 1_455 1_444 ? O11 Y2 Bi3 142.3(4) 9_655 9_666 ? O11 Y2 Bi3 37.7(4) 1_455 9_666 ? O8 Y2 Bi3 53.8(4) 9_665 9_666 ? O8 Y2 Bi3 126.2(4) 1_445 9_666 ? O4 Y2 Bi3 94.12(10) 15_565 9_666 ? O4 Y2 Bi3 85.88(10) 7_545 9_666 ? Y3MN Y2 Bi3 118.68(19) 9_655 9_666 ? Y3AL Y2 Bi3 61.32(19) 1_455 9_666 ? Y3AL Y2 Bi3 118.68(19) 9_655 9_666 ? Y3MN Y2 Bi3 61.32(19) 1_455 9_666 ? Bi3 Y2 Bi3 180.0(4) 1_444 9_666 ? O11 Y2 X2CA 85.14(3) 9_655 7_545 ? O11 Y2 X2CA 94.86(3) 1_455 7_545 ? O8 Y2 X2CA 137.88(2) 9_665 7_545 ? O8 Y2 X2CA 42.12(2) 1_445 7_545 ? O4 Y2 X2CA 133.68(2) 15_565 7_545 ? O4 Y2 X2CA 46.32(2) 7_545 7_545 ? Y3MN Y2 X2CA 62.058(8) 9_655 7_545 ? Y3AL Y2 X2CA 117.942(8) 1_455 7_545 ? Y3AL Y2 X2CA 62.058(8) 9_655 7_545 ? Y3MN Y2 X2CA 117.942(8) 1_455 7_545 ? Bi3 Y2 X2CA 67.4(3) 1_444 7_545 ? Bi3 Y2 X2CA 112.6(3) 9_666 7_545 ? O11 Y2 X2CA 94.86(3) 9_655 15_565 ? O11 Y2 X2CA 85.14(3) 1_455 15_565 ? O8 Y2 X2CA 42.12(2) 9_665 15_565 ? O8 Y2 X2CA 137.88(2) 1_445 15_565 ? O4 Y2 X2CA 46.32(2) 15_565 15_565 ? O4 Y2 X2CA 133.68(2) 7_545 15_565 ? Y3MN Y2 X2CA 117.942(8) 9_655 15_565 ? Y3AL Y2 X2CA 62.058(8) 1_455 15_565 ? Y3AL Y2 X2CA 117.942(8) 9_655 15_565 ? Y3MN Y2 X2CA 62.058(8) 1_455 15_565 ? Bi3 Y2 X2CA 112.6(3) 1_444 15_565 ? Bi3 Y2 X2CA 67.4(3) 9_666 15_565 ? X2CA Y2 X2CA 180.000(10) 7_545 15_565 ? O11 Y2 O7B 48.28(8) 9_655 1_444 ? O11 Y2 O7B 131.72(8) 1_455 1_444 ? O8 Y2 O7B 105.21(7) 9_665 1_444 ? O8 Y2 O7B 74.79(7) 1_445 1_444 ? O4 Y2 O7B 51.98(6) 15_565 1_444 ? O4 Y2 O7B 128.02(6) 7_545 1_444 ? Y3MN Y2 O7B 86.70(7) 9_655 1_444 ? Y3AL Y2 O7B 93.30(7) 1_455 1_444 ? Y3AL Y2 O7B 86.70(7) 9_655 1_444 ? Y3MN Y2 O7B 93.30(7) 1_455 1_444 ? Bi3 Y2 O7B 36.81(18) 1_444 1_444 ? Bi3 Y2 O7B 143.19(18) 9_666 1_444 ? X2CA Y2 O7B 102.65(4) 7_545 1_444 ? X2CA Y2 O7B 77.35(4) 15_565 1_444 ? O11 Y2 O7B 131.72(8) 9_655 9_666 ? O11 Y2 O7B 48.28(8) 1_455 9_666 ? O8 Y2 O7B 74.79(7) 9_665 9_666 ? O8 Y2 O7B 105.21(7) 1_445 9_666 ? O4 Y2 O7B 128.02(6) 15_565 9_666 ? O4 Y2 O7B 51.98(6) 7_545 9_666 ? Y3MN Y2 O7B 93.30(7) 9_655 9_666 ? Y3AL Y2 O7B 86.70(7) 1_455 9_666 ? Y3AL Y2 O7B 93.30(7) 9_655 9_666 ? Y3MN Y2 O7B 86.70(7) 1_455 9_666 ? Bi3 Y2 O7B 143.19(18) 1_444 9_666 ? Bi3 Y2 O7B 36.81(18) 9_666 9_666 ? X2CA Y2 O7B 77.35(4) 7_545 9_666 ? X2CA Y2 O7B 102.65(4) 15_565 9_666 ? O7B Y2 O7B 180.00(10) 1_444 9_666 ? O11 Y2 X3 135.65(5) 9_655 9_666 ? O11 Y2 X3 44.35(5) 1_455 9_666 ? O8 Y2 X3 46.58(5) 9_665 9_666 ? O8 Y2 X3 133.42(5) 1_445 9_666 ? O4 Y2 X3 93.06(3) 15_565 9_666 ? O4 Y2 X3 86.94(3) 7_545 9_666 ? Y3MN Y2 X3 115.71(2) 9_655 9_666 ? Y3AL Y2 X3 64.29(2) 1_455 9_666 ? Y3AL Y2 X3 115.71(2) 9_655 9_666 ? Y3MN Y2 X3 64.29(2) 1_455 9_666 ? Bi3 Y2 X3 172.8(3) 1_444 9_666 ? Bi3 Y2 X3 7.2(3) 9_666 9_666 ? X2CA Y2 X3 117.76(3) 7_545 9_666 ? X2CA Y2 X3 62.24(3) 15_565 9_666 ? O7B Y2 X3 139.27(5) 1_444 9_666 ? O7B Y2 X3 40.73(5) 9_666 9_666 ? O11 Y2 X3 44.35(5) 9_655 1_444 ? O11 Y2 X3 135.65(5) 1_455 1_444 ? O8 Y2 X3 133.42(5) 9_665 1_444 ? O8 Y2 X3 46.58(5) 1_445 1_444 ? O4 Y2 X3 86.94(3) 15_565 1_444 ? O4 Y2 X3 93.06(3) 7_545 1_444 ? Y3MN Y2 X3 64.29(2) 9_655 1_444 ? Y3AL Y2 X3 115.71(2) 1_455 1_444 ? Y3AL Y2 X3 64.29(2) 9_655 1_444 ? Y3MN Y2 X3 115.71(2) 1_455 1_444 ? Bi3 Y2 X3 7.2(3) 1_444 1_444 ? Bi3 Y2 X3 172.8(3) 9_666 1_444 ? X2CA Y2 X3 62.24(3) 7_545 1_444 ? X2CA Y2 X3 117.76(3) 15_565 1_444 ? O7B Y2 X3 40.73(5) 1_444 1_444 ? O7B Y2 X3 139.27(5) 9_666 1_444 ? X3 Y2 X3 180.00(5) 9_666 1_444 ? O2 Y3AL O11 98.34(4) . . ? O2 Y3AL O1 92.49(4) . . ? O11 Y3AL O1 169.17(4) . . ? O2 Y3AL O3 92.71(4) . . ? O11 Y3AL O3 87.51(4) . . ? O1 Y3AL O3 91.82(4) . . ? O2 Y3AL O5 87.21(4) . . ? O11 Y3AL O5 89.48(4) . . ? O1 Y3AL O5 91.23(4) . . ? O3 Y3AL O5 176.95(4) . . ? O2 Y3AL O4 172.44(4) . 15_665 ? O11 Y3AL O4 78.99(3) . 15_665 ? O1 Y3AL O4 90.28(4) . 15_665 ? O3 Y3AL O4 94.23(4) . 15_665 ? O5 Y3AL O4 85.70(4) . 15_665 ? O2 Y3AL Y2 135.80(3) . 1_655 ? O11 Y3AL Y2 38.42(2) . 1_655 ? O1 Y3AL Y2 130.94(3) . 1_655 ? O3 Y3AL Y2 93.45(3) . 1_655 ? O5 Y3AL Y2 84.50(3) . 1_655 ? O4 Y3AL Y2 40.70(2) 15_665 1_655 ? O2 Y3AL Bi3 87.79(17) . 9_766 ? O11 Y3AL Bi3 40.8(3) . 9_766 ? O1 Y3AL Bi3 140.3(3) . 9_766 ? O3 Y3AL Bi3 48.6(3) . 9_766 ? O5 Y3AL Bi3 128.4(3) . 9_766 ? O4 Y3AL Bi3 94.56(14) 15_665 9_766 ? Y2 Y3AL Bi3 64.81(12) 1_655 9_766 ? O2 Y3AL X2CA 138.61(3) . 15_665 ? O11 Y3AL X2CA 86.85(3) . 15_665 ? O1 Y3AL X2CA 84.89(3) . 15_665 ? O3 Y3AL X2CA 46.27(3) . 15_665 ? O5 Y3AL X2CA 134.07(3) . 15_665 ? O4 Y3AL X2CA 48.68(2) 15_665 15_665 ? Y2 Y3AL X2CA 65.066(8) 1_655 15_665 ? Bi3 Y3AL X2CA 69.6(3) 9_766 15_665 ? O2 Y3AL X1CA 49.11(3) . . ? O11 Y3AL X1CA 146.94(3) . . ? O1 Y3AL X1CA 43.76(3) . . ? O3 Y3AL X1CA 88.47(3) . . ? O5 Y3AL X1CA 93.78(3) . . ? O4 Y3AL X1CA 134.04(3) 15_665 . ? Y2 Y3AL X1CA 174.504(11) 1_655 . ? Bi3 Y3AL X1CA 119.95(13) 9_766 . ? X2CA Y3AL X1CA 113.188(10) 15_665 . ? O2 Y3AL X2CA 94.43(3) . 5_655 ? O11 Y3AL X2CA 130.85(3) . 5_655 ? O1 Y3AL X2CA 47.71(3) . 5_655 ? O3 Y3AL X2CA 139.12(3) . 5_655 ? O5 Y3AL X2CA 43.91(2) . 5_655 ? O4 Y3AL X2CA 82.25(2) 15_665 5_655 ? Y2 Y3AL X2CA 108.560(10) 1_655 5_655 ? Bi3 Y3AL X2CA 171.6(3) 9_766 5_655 ? X2CA Y3AL X2CA 112.989(10) 15_665 5_655 ? X1CA Y3AL X2CA 66.954(7) . 5_655 ? O2 Y3AL O7B 51.97(6) . 15_765 ? O11 Y3AL O7B 52.05(8) . 15_765 ? O1 Y3AL O7B 137.47(8) . 15_765 ? O3 Y3AL O7B 70.50(7) . 15_765 ? O5 Y3AL O7B 107.17(7) . 15_765 ? O4 Y3AL O7B 128.18(6) 15_665 15_765 ? Y2 Y3AL O7B 89.61(7) 1_655 15_765 ? Bi3 Y3AL O7B 38.1(3) 9_766 15_765 ? X2CA Y3AL O7B 106.18(4) 15_665 15_765 ? X1CA Y3AL O7B 95.89(7) . 15_765 ? X2CA Y3AL O7B 140.76(4) 5_655 15_765 ? O2 Y3AL X2CA 43.00(3) . . ? O11 Y3AL X2CA 95.35(3) . . ? O1 Y3AL X2CA 92.69(3) . . ? O3 Y3AL X2CA 135.62(3) . . ? O5 Y3AL X2CA 44.21(3) . . ? O4 Y3AL X2CA 129.85(3) 15_665 . ? Y2 Y3AL X2CA 115.708(10) 1_655 . ? Bi3 Y3AL X2CA 113.3(3) 9_766 . ? X2CA Y3AL X2CA 177.080(12) 15_665 . ? X1CA Y3AL X2CA 65.759(7) . . ? X2CA Y3AL X2CA 64.104(9) 5_655 . ? O7B Y3AL X2CA 76.71(4) 15_765 . ? O2 Y3AL X3 91.86(4) . 9_766 ? O11 Y3AL X3 45.08(4) . 9_766 ? O1 Y3AL X3 134.80(4) . 9_766 ? O3 Y3AL X3 43.03(4) . 9_766 ? O5 Y3AL X3 133.92(4) . 9_766 ? O4 Y3AL X3 91.17(4) 15_665 9_766 ? Y2 Y3AL X3 64.796(11) 1_655 9_766 ? Bi3 Y3AL X3 6.7(3) 9_766 9_766 ? X2CA Y3AL X3 63.25(4) 15_665 9_766 ? X1CA Y3AL X3 119.567(12) . 9_766 ? X2CA Y3AL X3 173.13(2) 5_655 9_766 ? O7B Y3AL X3 43.76(6) 15_765 9_766 ? X2CA Y3AL X3 119.67(4) . 9_766 ? O1 Z1 O1 112.22(3) 3 10_565 ? O1 Z1 O1 104.10(6) 3 4_565 ? O1 Z1 O1 112.22(3) 10_565 4_565 ? O1 Z1 O1 112.22(3) 3 9_665 ? O1 Z1 O1 104.10(6) 10_565 9_665 ? O1 Z1 O1 112.22(3) 4_565 9_665 ? O1 Z1 X1MN 127.95(3) 3 9_665 ? O1 Z1 X1MN 52.05(3) 10_565 9_665 ? O1 Z1 X1MN 127.95(3) 4_565 9_665 ? O1 Z1 X1MN 52.05(3) 9_665 9_665 ? O1 Z1 X1CA 127.95(3) 3 9_665 ? O1 Z1 X1CA 52.05(3) 10_565 9_665 ? O1 Z1 X1CA 127.95(3) 4_565 9_665 ? O1 Z1 X1CA 52.05(3) 9_665 9_665 ? X1MN Z1 X1CA 0.0 9_665 9_665 ? O1 Z1 X1CA 52.05(3) 3 3 ? O1 Z1 X1CA 127.95(3) 10_565 3 ? O1 Z1 X1CA 52.05(3) 4_565 3 ? O1 Z1 X1CA 127.95(3) 9_665 3 ? X1MN Z1 X1CA 180.0 9_665 3 ? X1CA Z1 X1CA 180.0 9_665 3 ? O1 Z1 X1MN 52.05(3) 3 3 ? O1 Z1 X1MN 127.95(3) 10_565 3 ? O1 Z1 X1MN 52.05(3) 4_565 3 ? O1 Z1 X1MN 127.95(3) 9_665 3 ? X1MN Z1 X1MN 180.0 9_665 3 ? X1CA Z1 X1MN 180.0 9_665 3 ? X1CA Z1 X1MN 0.0 3 3 ? O1 Z1 X2CA 133.54(3) 3 14_665 ? O1 Z1 X2CA 35.59(3) 10_565 14_665 ? O1 Z1 X2CA 78.22(3) 4_565 14_665 ? O1 Z1 X2CA 109.18(3) 9_665 14_665 ? X1MN Z1 X2CA 66.787(4) 9_665 14_665 ? X1CA Z1 X2CA 66.787(4) 9_665 14_665 ? X1CA Z1 X2CA 113.213(4) 3 14_665 ? X1MN Z1 X2CA 113.213(4) 3 14_665 ? O1 Z1 X2CA 35.59(3) 3 8_565 ? O1 Z1 X2CA 78.22(3) 10_565 8_565 ? O1 Z1 X2CA 109.18(3) 4_565 8_565 ? O1 Z1 X2CA 133.54(3) 9_665 8_565 ? X1MN Z1 X2CA 113.213(4) 9_665 8_565 ? X1CA Z1 X2CA 113.213(4) 9_665 8_565 ? X1CA Z1 X2CA 66.787(4) 3 8_565 ? X1MN Z1 X2CA 66.787(4) 3 8_565 ? X2CA Z1 X2CA 98.937(3) 14_665 8_565 ? O1 Z1 X2CA 78.22(3) 3 13_565 ? O1 Z1 X2CA 109.18(3) 10_565 13_565 ? O1 Z1 X2CA 133.54(3) 4_565 13_565 ? O1 Z1 X2CA 35.59(3) 9_665 13_565 ? X1MN Z1 X2CA 66.787(4) 9_665 13_565 ? X1CA Z1 X2CA 66.787(4) 9_665 13_565 ? X1CA Z1 X2CA 113.213(4) 3 13_565 ? X1MN Z1 X2CA 113.213(4) 3 13_565 ? X2CA Z1 X2CA 133.575(8) 14_665 13_565 ? X2CA Z1 X2CA 98.937(3) 8_565 13_565 ? O1 Z1 X2CA 109.18(3) 3 7 ? O1 Z1 X2CA 133.54(3) 10_565 7 ? O1 Z1 X2CA 35.59(3) 4_565 7 ? O1 Z1 X2CA 78.22(3) 9_665 7 ? X1MN Z1 X2CA 113.213(4) 9_665 7 ? X1CA Z1 X2CA 113.213(4) 9_665 7 ? X1CA Z1 X2CA 66.787(4) 3 7 ? X1MN Z1 X2CA 66.787(4) 3 7 ? X2CA Z1 X2CA 98.937(3) 14_665 7 ? X2CA Z1 X2CA 133.575(8) 8_565 7 ? X2CA Z1 X2CA 98.937(3) 13_565 7 ? O7A Z2 O3 101.75(16) 1_545 11_666 ? O7A Z2 O2 116.45(12) 1_545 15_666 ? O3 Z2 O2 112.97(5) 11_666 15_666 ? O7A Z2 O7B 11.25(11) 1_545 1_545 ? O3 Z2 O7B 113.0(2) 11_666 1_545 ? O2 Z2 O7B 109.28(15) 15_666 1_545 ? O7A Z2 O4 113.80(9) 1_545 15_666 ? O3 Z2 O4 111.41(4) 11_666 15_666 ? O2 Z2 O4 100.92(4) 15_666 15_666 ? O7B Z2 O4 108.58(12) 1_545 15_666 ? O7A Z2 T1 45.47(19) 1_545 9_656 ? O3 Z2 T1 147.16(11) 11_666 9_656 ? O2 Z2 T1 86.62(7) 15_666 9_656 ? O7B Z2 T1 34.2(2) 1_545 9_656 ? O4 Z2 T1 88.87(7) 15_666 9_656 ? O7A Z2 X3 52.73(16) 1_545 3_645 ? O3 Z2 X3 49.19(3) 11_666 3_645 ? O2 Z2 X3 134.81(6) 15_666 3_645 ? O7B Z2 X3 64.0(2) 1_545 3_645 ? O4 Z2 X3 123.97(6) 15_666 3_645 ? T1 Z2 X3 98.18(10) 9_656 3_645 ? O7A Z2 X2CA 133.05(16) 1_545 15_666 ? O3 Z2 X2CA 125.19(3) 11_666 15_666 ? O2 Z2 X2CA 49.46(3) 15_666 15_666 ? O7B Z2 X2CA 121.9(2) 1_545 15_666 ? O4 Z2 X2CA 51.49(3) 15_666 15_666 ? T1 Z2 X2CA 87.64(10) 9_656 15_666 ? X3 Z2 X2CA 172.76(3) 3_645 15_666 ? O7A Z2 Bi3 54.5(3) 1_545 3_645 ? O3 Z2 Bi3 47.5(2) 11_666 3_645 ? O2 Z2 Bi3 126.9(4) 15_666 3_645 ? O7B Z2 Bi3 65.6(3) 1_545 3_645 ? O4 Z2 Bi3 131.6(4) 15_666 3_645 ? T1 Z2 Bi3 99.7(2) 9_656 3_645 ? X3 Z2 Bi3 8.0(4) 3_645 3_645 ? X2CA Z2 Bi3 171.9(3) 15_666 3_645 ? O7A Z2 X2CA 109.43(14) 1_545 5_656 ? O3 Z2 X2CA 32.80(3) 11_666 5_656 ? O2 Z2 X2CA 128.74(3) 15_666 5_656 ? O7B Z2 X2CA 119.17(17) 1_545 5_656 ? O4 Z2 X2CA 79.47(3) 15_666 5_656 ? T1 Z2 X2CA 144.13(6) 9_656 5_656 ? X3 Z2 X2CA 62.87(3) 3_645 5_656 ? X2CA Z2 X2CA 109.917(10) 15_666 5_656 ? Bi3 Z2 X2CA 65.94(12) 3_645 5_656 ? O7A Z2 O7B 55.46(16) 1_545 5_646 ? O3 Z2 O7B 66.31(9) 11_666 5_646 ? O2 Z2 O7B 92.24(5) 15_666 5_646 ? O7B Z2 O7B 62.4(2) 1_545 5_646 ? O4 Z2 O7B 166.19(5) 15_666 5_646 ? T1 Z2 O7B 87.74(12) 9_656 5_646 ? X3 Z2 O7B 43.58(7) 3_645 5_646 ? X2CA Z2 O7B 141.62(5) 15_666 5_646 ? Bi3 Z2 O7B 36.4(3) 3_645 5_646 ? X2CA Z2 O7B 95.60(8) 5_656 5_646 ? O6 Z3 O8 108.32(5) 6_565 7 ? O6 Z3 O5 111.77(5) 6_565 7_655 ? O8 Z3 O5 113.63(5) 7 7_655 ? O6 Z3 O9 106.85(5) 6_565 . ? O8 Z3 O9 108.75(4) 7 . ? O5 Z3 O9 107.27(4) 7_655 . ? O6 Z3 X4 48.01(4) 6_565 5_655 ? O8 Z3 X4 112.96(3) 7 5_655 ? O5 Z3 X4 133.26(4) 7_655 5_655 ? O9 Z3 X4 59.91(4) . 5_655 ? O6 Z3 X2CA 68.23(4) 6_565 4_665 ? O8 Z3 X2CA 133.96(3) 7 4_665 ? O5 Z3 X2CA 43.81(3) 7_655 4_665 ? O9 Z3 X2CA 116.191(19) . 4_665 ? X4 Z3 X2CA 98.105(10) 5_655 4_665 ? O6 Z3 X3 60.47(4) 6_565 7_556 ? O8 Z3 X3 48.37(3) 7 7_556 ? O5 Z3 X3 137.43(5) 7_655 7_556 ? O9 Z3 X3 115.06(4) . 7_556 ? X4 Z3 X3 75.77(4) 5_655 7_556 ? X2CA Z3 X3 114.83(2) 4_665 7_556 ? O6 Z3 X2CA 116.09(4) 6_565 1_565 ? O8 Z3 X2CA 34.57(3) 7 1_565 ? O5 Z3 X2CA 129.20(3) 7_655 1_565 ? O9 Z3 X2CA 74.37(2) . 1_565 ? X4 Z3 X2CA 92.684(9) 5_655 1_565 ? X2CA Z3 X2CA 167.745(12) 4_665 1_565 ? X3 Z3 X2CA 62.268(16) 7_556 1_565 ? O6 Z3 X2CA 123.39(4) 6_565 7_655 ? O8 Z3 X2CA 126.08(3) 7 7_655 ? O5 Z3 X2CA 35.46(3) 7_655 7_655 ? O9 Z3 X2CA 71.81(2) . 7_655 ? X4 Z3 X2CA 112.423(19) 5_655 7_655 ? X2CA Z3 X2CA 63.530(9) 4_665 7_655 ? X3 Z3 X2CA 171.65(4) 7_556 7_655 ? X2CA Z3 X2CA 117.407(10) 1_565 7_655 ? O11 T1 O11 136.1(3) 1_455 7_545 ? O11 T1 O7B 106.24(10) 1_455 15_665 ? O11 T1 O7B 100.48(10) 7_545 15_665 ? O11 T1 O7B 100.48(10) 1_455 9_666 ? O11 T1 O7B 106.24(10) 7_545 9_666 ? O7B T1 O7B 103.8(3) 15_665 9_666 ? O11 T1 O7A 107.24(9) 1_455 15_665 ? O11 T1 O7A 100.69(9) 7_545 15_665 ? O7B T1 O7A 2.07(12) 15_665 15_665 ? O7B T1 O7A 101.7(3) 9_666 15_665 ? O11 T1 O7A 100.69(9) 1_455 9_666 ? O11 T1 O7A 107.24(10) 7_545 9_666 ? O7B T1 O7A 101.7(3) 15_665 9_666 ? O7B T1 O7A 2.07(12) 9_666 9_666 ? O7A T1 O7A 99.7(2) 15_665 9_666 ? O11 T1 Bi3 157.6(3) 1_455 15_665 ? O11 T1 Bi3 66.3(2) 7_545 15_665 ? O7B T1 Bi3 63.8(3) 15_665 15_665 ? O7B T1 Bi3 65.2(2) 9_666 15_665 ? O7A T1 Bi3 62.2(2) 15_665 15_665 ? O7A T1 Bi3 64.3(2) 9_666 15_665 ? O11 T1 Bi3 66.3(2) 1_455 9_666 ? O11 T1 Bi3 157.6(3) 7_545 9_666 ? O7B T1 Bi3 65.2(2) 15_665 9_666 ? O7B T1 Bi3 63.8(3) 9_666 9_666 ? O7A T1 Bi3 64.3(2) 15_665 9_666 ? O7A T1 Bi3 62.2(2) 9_666 9_666 ? Bi3 T1 Bi3 91.4(4) 15_665 9_666 ? O11 T1 X3 158.0(3) 1_455 15_665 ? O11 T1 X3 65.88(9) 7_545 15_665 ? O7B T1 X3 61.93(14) 15_665 15_665 ? O7B T1 X3 67.29(15) 9_666 15_665 ? O7A T1 X3 60.37(12) 15_665 15_665 ? O7A T1 X3 66.42(13) 9_666 15_665 ? Bi3 T1 X3 2.31(17) 15_665 15_665 ? Bi3 T1 X3 91.7(3) 9_666 15_665 ? O11 T1 X3 65.88(9) 1_455 9_666 ? O11 T1 X3 158.0(3) 7_545 9_666 ? O7B T1 X3 67.29(15) 15_665 9_666 ? O7B T1 X3 61.93(14) 9_666 9_666 ? O7A T1 X3 66.42(13) 15_665 9_666 ? O7A T1 X3 60.37(12) 9_666 9_666 ? Bi3 T1 X3 91.7(3) 15_665 9_666 ? Bi3 T1 X3 2.31(17) 9_666 9_666 ? X3 T1 X3 92.14(16) 15_665 9_666 ? O11 T1 Z2 94.49(4) 1_455 15_565 ? O11 T1 Z2 89.83(4) 7_545 15_565 ? O7B T1 Z2 32.37(9) 15_665 15_565 ? O7B T1 Z2 136.1(3) 9_666 15_565 ? O7A T1 Z2 34.40(6) 15_665 15_565 ? O7A T1 Z2 134.1(2) 9_666 15_565 ? Bi3 T1 Z2 86.14(19) 15_665 15_565 ? Bi3 T1 Z2 85.81(19) 9_666 15_565 ? X3 T1 Z2 83.87(8) 15_665 15_565 ? X3 T1 Z2 88.12(8) 9_666 15_565 ? O11 T1 Z2 89.83(4) 1_455 9_656 ? O11 T1 Z2 94.49(4) 7_545 9_656 ? O7B T1 Z2 136.1(3) 15_665 9_656 ? O7B T1 Z2 32.37(9) 9_666 9_656 ? O7A T1 Z2 134.1(2) 15_665 9_656 ? O7A T1 Z2 34.40(6) 9_666 9_656 ? Bi3 T1 Z2 85.81(19) 15_665 9_656 ? Bi3 T1 Z2 86.14(19) 9_666 9_656 ? X3 T1 Z2 88.12(8) 15_665 9_656 ? X3 T1 Z2 83.87(8) 9_666 9_656 ? Z2 T1 Z2 168.5(2) 15_565 9_656 ? Z1 O1 Y3AL 135.67(5) 9_665 . ? Z1 O1 X1CA 94.21(4) 9_665 . ? Y3AL O1 X1CA 101.03(4) . . ? Z1 O1 X2CA 121.70(4) 9_665 5_655 ? Y3AL O1 X2CA 96.77(3) . 5_655 ? X1CA O1 X2CA 99.05(3) . 5_655 ? Z1 O1 X2MN 121.70(4) 9_665 5_655 ? Y3AL O1 X2MN 96.77(3) . 5_655 ? X1CA O1 X2MN 99.05(3) . 5_655 ? X2CA O1 X2MN 0.000(14) 5_655 5_655 ? Z2 O2 Y3AL 129.19(5) 15_665 . ? Z2 O2 X2CA 99.36(4) 15_665 . ? Y3AL O2 X2CA 103.91(4) . . ? Z2 O2 X1CA 126.30(4) 15_665 . ? Y3AL O2 X1CA 95.45(3) . . ? X2CA O2 X1CA 96.02(3) . . ? Z2 O2 O7B 35.55(9) 15_665 15_765 ? Y3AL O2 O7B 93.65(9) . 15_765 ? X2CA O2 O7B 112.50(8) . 15_765 ? X1CA O2 O7B 146.91(12) . 15_765 ? Z2 O3 Y3AL 130.58(5) 12_656 . ? Z2 O3 X2CA 125.33(5) 12_656 15_665 ? Y3AL O3 X2CA 96.27(4) . 15_665 ? Z2 O3 X2MN 125.33(5) 12_656 15_665 ? Y3AL O3 X2MN 96.27(4) . 15_665 ? X2CA O3 X2MN 0.000(15) 15_665 15_665 ? Z2 O3 X3 99.65(4) 12_656 9_766 ? Y3AL O3 X3 102.15(7) . 9_766 ? X2CA O3 X3 94.93(6) 15_665 9_766 ? X2MN O3 X3 94.93(6) 15_665 9_766 ? Z2 O3 Bi3 102.4(3) 12_656 9_766 ? Y3AL O3 Bi3 92.9(6) . 9_766 ? X2CA O3 Bi3 101.2(3) 15_665 9_766 ? X2MN O3 Bi3 101.2(3) 15_665 9_766 ? X3 O3 Bi3 10.6(5) 9_766 9_766 ? Z2 O3 O7B 33.74(9) 12_656 12_756 ? Y3AL O3 O7B 133.13(6) . 12_756 ? X2CA O3 O7B 128.74(6) 15_665 12_756 ? X2MN O3 O7B 128.74(6) 15_665 12_756 ? X3 O3 O7B 66.07(10) 9_766 12_756 ? Bi3 O3 O7B 68.8(3) 9_766 12_756 ? Z2 O4 Y2 128.84(5) 15_665 7_655 ? Z2 O4 Y3MN 132.62(5) 15_665 15_666 ? Y2 O4 Y3MN 95.18(3) 7_655 15_666 ? Z2 O4 Y3AL 132.62(5) 15_665 15_666 ? Y2 O4 Y3AL 95.18(3) 7_655 15_666 ? Y3MN O4 Y3AL 0.000(16) 15_666 15_666 ? Z2 O4 X2CA 96.40(4) 15_665 . ? Y2 O4 X2CA 99.03(3) 7_655 . ? Y3MN O4 X2CA 92.24(3) 15_666 . ? Y3AL O4 X2CA 92.24(3) 15_666 . ? Z2 O4 O7B 35.51(8) 15_665 15_765 ? Y2 O4 O7B 93.67(9) 7_655 15_765 ? Y3MN O4 O7B 154.12(12) 15_666 15_765 ? Y3AL O4 O7B 154.12(12) 15_666 15_765 ? X2CA O4 O7B 110.31(9) . 15_765 ? Z3 O5 Y3AL 125.27(5) 7_545 . ? Z3 O5 X2MN 107.32(4) 7_545 5_655 ? Y3AL O5 X2MN 99.23(4) . 5_655 ? Z3 O5 X2CA 107.32(4) 7_545 5_655 ? Y3AL O5 X2CA 99.23(4) . 5_655 ? X2MN O5 X2CA 0.000(11) 5_655 5_655 ? Z3 O5 X2CA 121.66(5) 7_545 . ? Y3AL O5 X2CA 100.37(4) . . ? X2MN O5 X2CA 97.54(3) 5_655 . ? X2CA O5 X2CA 97.54(3) 5_655 . ? Z3 O6 Y1A 117.95(6) 6_565 . ? Z3 O6 Y1 122.49(6) 6_565 . ? Y1A O6 Y1 6.87(9) . . ? Z3 O6 X4 100.27(5) 6_565 . ? Y1A O6 X4 24.45(6) . . ? Y1 O6 X4 31.32(5) . . ? Z3 O6 X3 148.35(6) 6_565 1_554 ? Y1A O6 X3 92.55(5) . 1_554 ? Y1 O6 X3 87.17(5) . 1_554 ? X4 O6 X3 111.38(4) . 1_554 ? Z3 O6 X3 90.39(4) 6_565 4_564 ? Y1A O6 X3 80.53(6) . 4_564 ? Y1 O6 X3 75.93(6) . 4_564 ? X4 O6 X3 97.26(6) . 4_564 ? X3 O6 X3 86.34(5) 1_554 4_564 ? Z3 O6 X2CA 81.96(4) 6_565 7_655 ? Y1A O6 X2CA 139.24(5) . 7_655 ? Y1 O6 X2CA 141.75(4) . 7_655 ? X4 O6 X2CA 125.03(4) . 7_655 ? X3 O6 X2CA 79.51(3) 1_554 7_655 ? X3 O6 X2CA 137.69(6) 4_564 7_655 ? O7B O7A Z2 89.1(7) . 1_565 ? O7B O7A T1 11.2(6) . 9_666 ? Z2 O7A T1 100.1(2) 1_565 9_666 ? O7B O7A Bi3 71.3(9) . . ? Z2 O7A Bi3 129.5(3) 1_565 . ? T1 O7A Bi3 62.5(6) 9_666 . ? O7B O7A Bi3 66.2(8) . 7_556 ? Z2 O7A Bi3 124.5(3) 1_565 7_556 ? T1 O7A Bi3 61.3(5) 9_666 7_556 ? Bi3 O7A Bi3 90.0(4) . 7_556 ? O7B O7A X3 80.6(7) . . ? Z2 O7A X3 128.93(11) 1_565 . ? T1 O7A X3 72.08(12) 9_666 . ? Bi3 O7A X3 9.7(5) . . ? Bi3 O7A X3 96.48(19) 7_556 . ? O7B O7A X3 174.9(7) . 3_655 ? Z2 O7A X3 95.97(17) 1_565 3_655 ? T1 O7A X3 163.78(14) 9_666 3_655 ? Bi3 O7A X3 105.3(6) . 3_655 ? Bi3 O7A X3 110.6(5) 7_556 3_655 ? X3 O7A X3 96.14(14) . 3_655 ? O7B O7A Bi3 169.5(8) . 3_655 ? Z2 O7A Bi3 94.9(3) 1_565 3_655 ? T1 O7A Bi3 163.13(19) 9_666 3_655 ? Bi3 O7A Bi3 112.8(10) . 3_655 ? Bi3 O7A Bi3 103.7(3) 7_556 3_655 ? X3 O7A Bi3 104.1(5) . 3_655 ? X3 O7A Bi3 9.7(4) 3_655 3_655 ? O7B O7A X3 72.7(7) . 7_556 ? Z2 O7A X3 126.11(12) 1_565 7_556 ? T1 O7A X3 67.72(12) 9_666 7_556 ? Bi3 O7A X3 92.6(3) . 7_556 ? Bi3 O7A X3 6.5(5) 7_556 7_556 ? X3 O7A X3 98.23(10) . 7_556 ? X3 O7A X3 104.12(11) 3_655 7_556 ? Bi3 O7A X3 97.2(3) 3_655 7_556 ? O7B O7A O7B 46.2(6) . 7_556 ? Z2 O7A O7B 135.32(16) 1_565 7_556 ? T1 O7A O7B 35.26(13) 9_666 7_556 ? Bi3 O7A O7B 47.0(4) . 7_556 ? Bi3 O7A O7B 45.8(3) 7_556 7_556 ? X3 O7A O7B 55.58(10) . 7_556 ? X3 O7A O7B 128.71(10) 3_655 7_556 ? Bi3 O7A O7B 128.94(19) 3_655 7_556 ? X3 O7A O7B 50.35(10) 7_556 7_556 ? O7B O7A O7B 125.3(7) . 5_656 ? Z2 O7A O7B 98.13(17) 1_565 5_656 ? T1 O7A O7B 124.73(16) 9_666 5_656 ? Bi3 O7A O7B 131.5(3) . 5_656 ? Bi3 O7A O7B 65.4(4) 7_556 5_656 ? X3 O7A O7B 128.44(12) . 5_656 ? X3 O7A O7B 54.06(16) 3_655 5_656 ? Bi3 O7A O7B 44.6(4) 3_655 5_656 ? X3 O7A O7B 59.42(8) 7_556 5_656 ? O7B O7A O7B 107.48(17) 7_556 5_656 ? O7B O7A O11 79.9(6) . . ? Z2 O7A O11 167.89(16) 1_565 . ? T1 O7A O11 69.06(12) 9_666 . ? Bi3 O7A O11 51.26(16) . . ? Bi3 O7A O11 46.0(2) 7_556 . ? X3 O7A O11 54.34(5) . . ? X3 O7A O11 95.11(4) 3_655 . ? Bi3 O7A O11 95.14(17) 3_655 . ? X3 O7A O11 45.67(4) 7_556 . ? O7B O7A O11 33.86(7) 7_556 . ? O7B O7A O11 84.45(9) 5_656 . ? O7A O7B Z2 79.7(7) . 1_565 ? O7A O7B T1 166.7(7) . 9_666 ? Z2 O7B T1 113.4(3) 1_565 9_666 ? O7A O7B Bi3 100.5(9) . . ? Z2 O7B Bi3 133.4(2) 1_565 . ? T1 O7B Bi3 69.1(6) 9_666 . ? O7A O7B Bi3 106.0(8) . 7_556 ? Z2 O7B Bi3 129.9(2) 1_565 7_556 ? T1 O7B Bi3 68.1(5) 9_666 7_556 ? Bi3 O7B Bi3 95.2(3) . 7_556 ? O7A O7B X3 91.7(7) . . ? Z2 O7B X3 129.38(14) 1_565 . ? T1 O7B X3 78.11(15) 9_666 . ? Bi3 O7B X3 9.2(5) . . ? Bi3 O7B X3 100.49(18) 7_556 . ? O7A O7B X3 100.4(7) . 7_556 ? Z2 O7B X3 129.38(12) 1_565 7_556 ? T1 O7B X3 73.67(15) 9_666 7_556 ? Bi3 O7B X3 96.7(2) . 7_556 ? Bi3 O7B X3 5.6(5) 7_556 7_556 ? X3 O7B X3 101.23(10) . 7_556 ? O7A O7B O11 141.3(7) . 9_766 ? Z2 O7B O11 98.28(17) 1_565 9_766 ? T1 O7B O11 38.11(10) 9_666 9_766 ? Bi3 O7B O11 53.4(5) . 9_766 ? Bi3 O7B O11 104.5(5) 7_556 9_766 ? X3 O7B O11 59.59(9) . 9_766 ? X3 O7B O11 109.77(18) 7_556 9_766 ? O7A O7B O2 103.1(7) . 15_676 ? Z2 O7B O2 35.17(7) 1_565 15_676 ? T1 O7B O2 89.7(2) 9_666 15_676 ? Bi3 O7B O2 148.5(5) . 15_676 ? Bi3 O7B O2 98.0(3) 7_556 15_676 ? X3 O7B O2 152.05(16) . 15_676 ? X3 O7B O2 99.21(10) 7_556 15_676 ? O11 O7B O2 95.52(15) 9_766 15_676 ? O7A O7B O11 149.1(7) . 15_676 ? Z2 O7B O11 99.23(18) 1_565 15_676 ? T1 O7B O11 35.39(10) 9_666 15_676 ? Bi3 O7B O11 102.2(6) . 15_676 ? Bi3 O7B O11 51.3(5) 7_556 15_676 ? X3 O7B O11 111.36(19) . 15_676 ? X3 O7B O11 56.40(9) 7_556 15_676 ? O11 O7B O11 69.55(15) 9_766 15_676 ? O2 O7B O11 65.70(10) 15_676 15_676 ? O7A O7B O4 98.0(7) . 15_676 ? Z2 O7B O4 35.91(6) 1_565 15_676 ? T1 O7B O4 92.1(2) 9_666 15_676 ? Bi3 O7B O4 99.8(2) . 15_676 ? Bi3 O7B O4 148.8(5) 7_556 15_676 ? X3 O7B O4 98.39(9) . 15_676 ? X3 O7B O4 152.60(18) 7_556 15_676 ? O11 O7B O4 64.92(9) 9_766 15_676 ? O2 O7B O4 56.58(6) 15_676 15_676 ? O11 O7B O4 98.56(15) 15_676 15_676 ? O7A O7B O7B 128.9(6) . 7_556 ? Z2 O7B O7B 151.5(2) 1_565 7_556 ? T1 O7B O7B 38.12(16) 9_666 7_556 ? Bi3 O7B O7B 51.0(4) . 7_556 ? Bi3 O7B O7B 49.8(3) 7_556 7_556 ? X3 O7B O7B 59.13(12) . 7_556 ? X3 O7B O7B 53.63(12) 7_556 7_556 ? O11 O7B O7B 60.65(7) 9_766 7_556 ? O2 O7B O7B 122.30(14) 15_676 7_556 ? O11 O7B O7B 56.90(7) 15_676 7_556 ? O4 O7B O7B 125.18(12) 15_676 7_556 ? O7A O7B O3 46.5(6) . 11_676 ? Z2 O7B O3 33.30(11) 1_565 11_676 ? T1 O7B O3 146.7(2) 9_666 11_676 ? Bi3 O7B O3 129.7(5) . 11_676 ? Bi3 O7B O3 126.3(3) 7_556 11_676 ? X3 O7B O3 121.19(17) . 11_676 ? X3 O7B O3 122.20(14) 7_556 11_676 ? O11 O7B O3 124.61(9) 9_766 11_676 ? O2 O7B O3 60.37(6) 15_676 11_676 ? O11 O7B O3 124.93(10) 15_676 11_676 ? O4 O7B O3 60.23(7) 15_676 11_676 ? O7B O7B O3 174.55(10) 7_556 11_676 ? O7A O7B X3 4.5(6) . 3_655 ? Z2 O7B X3 84.1(2) 1_565 3_655 ? T1 O7B X3 162.28(18) 9_666 3_655 ? Bi3 O7B X3 97.4(6) . 3_655 ? Bi3 O7B X3 103.1(5) 7_556 3_655 ? X3 O7B X3 88.87(16) . 3_655 ? X3 O7B X3 97.55(14) 7_556 3_655 ? O11 O7B X3 141.09(13) 9_766 3_655 ? O2 O7B X3 107.14(14) 15_676 3_655 ? O11 O7B X3 148.77(13) 15_676 3_655 ? O4 O7B X3 101.79(14) 15_676 3_655 ? O7B O7B X3 124.40(5) 7_556 3_655 ? O3 O7B X3 50.98(10) 11_676 3_655 ? O7A O7B Bi3 9.3(7) . 3_655 ? Z2 O7B Bi3 83.4(3) 1_565 3_655 ? T1 O7B Bi3 162.2(2) 9_666 3_655 ? Bi3 O7B Bi3 104.2(10) . 3_655 ? Bi3 O7B Bi3 97.0(3) 7_556 3_655 ? X3 O7B Bi3 96.0(5) . 3_655 ? X3 O7B Bi3 91.4(3) 7_556 3_655 ? O11 O7B Bi3 149.7(4) 9_766 3_655 ? O2 O7B Bi3 102.4(4) 15_676 3_655 ? O11 O7B Bi3 140.3(4) 15_676 3_655 ? O4 O7B Bi3 105.44(19) 15_676 3_655 ? O7B O7B Bi3 124.73(16) 7_556 3_655 ? O3 O7B Bi3 50.19(19) 11_676 3_655 ? X3 O7B Bi3 8.6(4) 3_655 3_655 ? O7A O7B O7A 124.0(7) . 7_556 ? Z2 O7B O7A 156.3(2) 1_565 7_556 ? T1 O7B O7A 43.00(14) 9_666 7_556 ? Bi3 O7B O7A 50.1(4) . 7_556 ? Bi3 O7B O7A 48.2(2) 7_556 7_556 ? X3 O7B O7A 57.75(10) . 7_556 ? X3 O7B O7A 51.62(9) 7_556 7_556 ? O11 O7B O7A 64.55(7) 9_766 7_556 ? O2 O7B O7A 126.03(15) 15_676 7_556 ? O11 O7B O7A 60.37(7) 15_676 7_556 ? O4 O7B O7A 129.36(14) 15_676 7_556 ? O7B O7B O7A 4.89(7) 7_556 7_556 ? O3 O7B O7A 169.87(14) 11_676 7_556 ? X3 O7B O7A 119.56(10) 3_655 7_556 ? Bi3 O7B O7A 119.84(18) 3_655 7_556 ? O7A O7B O7A 54.2(7) . 5_656 ? Z2 O7B O7A 93.6(2) 1_565 5_656 ? T1 O7B O7A 124.35(17) 9_666 5_656 ? Bi3 O7B O7A 124.5(4) . 5_656 ? Bi3 O7B O7A 57.6(4) 7_556 5_656 ? X3 O7B O7A 121.18(15) . 5_656 ? X3 O7B O7A 52.45(6) 7_556 5_656 ? O11 O7B O7A 162.1(2) 9_766 5_656 ? O2 O7B O7A 86.50(10) 15_676 5_656 ? O11 O7B O7A 95.42(10) 15_676 5_656 ? O4 O7B O7A 129.08(18) 15_676 5_656 ? O7B O7B O7A 103.36(15) 7_556 5_656 ? O3 O7B O7A 71.66(17) 11_676 5_656 ? X3 O7B O7A 53.35(16) 3_655 5_656 ? Bi3 O7B O7A 45.0(4) 3_655 5_656 ? O7A O7B O7A 99.97(13) 7_556 5_656 ? O7A O7B O7B 50.0(6) . 5_656 ? Z2 O7B O7B 90.4(2) 1_565 5_656 ? T1 O7B O7B 129.0(2) 9_666 5_656 ? Bi3 O7B O7B 125.5(4) . 5_656 ? Bi3 O7B O7B 62.3(4) 7_556 5_656 ? X3 O7B O7B 121.39(14) . 5_656 ? X3 O7B O7B 57.13(8) 7_556 5_656 ? O11 O7B O7B 166.8(2) 9_766 5_656 ? O2 O7B O7B 85.83(8) 15_676 5_656 ? O11 O7B O7B 99.36(13) 15_676 5_656 ? O4 O7B O7B 125.48(18) 15_676 5_656 ? O7B O7B O7B 107.64(17) 7_556 5_656 ? O3 O7B O7B 67.30(17) 11_676 5_656 ? X3 O7B O7B 49.43(16) 3_655 5_656 ? Bi3 O7B O7B 41.0(4) 3_655 5_656 ? O7A O7B O7B 104.12(12) 7_556 5_656 ? O7A O7B O7B 4.70(6) 5_656 5_656 ? O7A O7B Y3AL 122.8(7) . 15_676 ? Z2 O7B Y3AL 69.55(11) 1_565 15_676 ? T1 O7B Y3AL 66.76(15) 9_666 15_676 ? Bi3 O7B Y3AL 135.7(6) . 15_676 ? Bi3 O7B Y3AL 66.1(3) 7_556 15_676 ? X3 O7B Y3AL 144.8(2) . 15_676 ? X3 O7B Y3AL 68.63(8) 7_556 15_676 ? O11 O7B Y3AL 91.22(15) 9_766 15_676 ? O2 O7B Y3AL 34.38(5) 15_676 15_676 ? O11 O7B Y3AL 34.42(5) 15_676 15_676 ? O4 O7B Y3AL 84.34(9) 15_676 15_676 ? O7B O7B Y3AL 90.59(11) 7_556 15_676 ? O3 O7B Y3AL 90.71(6) 11_676 15_676 ? X3 O7B Y3AL 125.11(12) 3_655 15_676 ? Bi3 O7B Y3AL 117.2(4) 3_655 15_676 ? O7A O7B Y3AL 93.51(10) 7_556 15_676 ? O7A O7B Y3AL 80.41(7) 5_656 15_676 ? O7B O7B Y3AL 82.48(7) 5_656 15_676 ? O7A O7B Y3MN 122.8(7) . 15_676 ? Z2 O7B Y3MN 69.55(11) 1_565 15_676 ? T1 O7B Y3MN 66.76(15) 9_666 15_676 ? Bi3 O7B Y3MN 135.7(6) . 15_676 ? Bi3 O7B Y3MN 66.1(3) 7_556 15_676 ? X3 O7B Y3MN 144.8(2) . 15_676 ? X3 O7B Y3MN 68.63(8) 7_556 15_676 ? O11 O7B Y3MN 91.22(15) 9_766 15_676 ? O2 O7B Y3MN 34.38(5) 15_676 15_676 ? O11 O7B Y3MN 34.42(5) 15_676 15_676 ? O4 O7B Y3MN 84.34(9) 15_676 15_676 ? O7B O7B Y3MN 90.59(11) 7_556 15_676 ? O3 O7B Y3MN 90.71(6) 11_676 15_676 ? X3 O7B Y3MN 125.11(12) 3_655 15_676 ? Bi3 O7B Y3MN 117.2(4) 3_655 15_676 ? O7A O7B Y3MN 93.51(10) 7_556 15_676 ? O7A O7B Y3MN 80.41(7) 5_656 15_676 ? O7B O7B Y3MN 82.48(7) 5_656 15_676 ? Y3AL O7B Y3MN 0.000(15) 15_676 15_676 ? Z3 O8 Y2 125.47(5) 7 1_665 ? Z3 O8 X2CA 122.15(4) 7 7_655 ? Y2 O8 X2CA 104.92(4) 1_665 7_655 ? Z3 O8 X2MN 122.15(4) 7 7_655 ? Y2 O8 X2MN 104.92(4) 1_665 7_655 ? X2CA O8 X2MN 0.000(13) 7_655 7_655 ? Z3 O8 X3 103.15(5) 7 1_554 ? Y2 O8 X3 100.76(7) 1_665 1_554 ? X2CA O8 X3 92.17(4) 7_655 1_554 ? X2MN O8 X3 92.17(4) 7_655 1_554 ? Z3 O8 Bi3 108.7(3) 7 1_554 ? Y2 O8 Bi3 91.4(5) 1_665 1_554 ? X2CA O8 Bi3 95.19(17) 7_655 1_554 ? X2MN O8 Bi3 95.19(17) 7_655 1_554 ? X3 O8 Bi3 9.4(5) 1_554 1_554 ? Z3 O9 Z3 134.23(8) 7 . ? Z3 O9 X4 137.32(5) 7 5_655 ? Z3 O9 X4 86.73(3) . 5_655 ? Z3 O9 X4 86.73(3) 7 . ? Z3 O9 X4 137.32(5) . . ? X4 O9 X4 58.63(5) 5_655 . ? Cl O10 Y1 180.00(2) . 1_556 ? Cl O10 Y1A 180.00(2) . 1_556 ? Y1 O10 Y1A 0.0 1_556 1_556 ? Cl O10 X3 96.96(15) . . ? Y1 O10 X3 83.04(13) 1_556 . ? Y1A O10 X3 83.04(13) 1_556 . ? Cl O10 X3 96.96(11) . 2_665 ? Y1 O10 X3 83.04(13) 1_556 2_665 ? Y1A O10 X3 83.04(13) 1_556 2_665 ? X3 O10 X3 166.1(3) . 2_665 ? Cl O10 X3 96.96(13) . 3_655 ? Y1 O10 X3 83.04(13) 1_556 3_655 ? Y1A O10 X3 83.04(13) 1_556 3_655 ? X3 O10 X3 89.16(3) . 3_655 ? X3 O10 X3 89.16(3) 2_665 3_655 ? Cl O10 X3 96.96(13) . 4_565 ? Y1 O10 X3 83.04(13) 1_556 4_565 ? Y1A O10 X3 83.04(13) 1_556 4_565 ? X3 O10 X3 89.16(3) . 4_565 ? X3 O10 X3 89.16(3) 2_665 4_565 ? X3 O10 X3 166.1(3) 3_655 4_565 ? Cl O10 Bi3 89.7(3) . . ? Y1 O10 Bi3 90.3(3) 1_556 . ? Y1A O10 Bi3 90.3(3) 1_556 . ? X3 O10 Bi3 8.0(3) . . ? X3 O10 Bi3 172.5(3) 2_665 . ? X3 O10 Bi3 86.71(17) 3_655 . ? X3 O10 Bi3 93.4(2) 4_565 . ? O10 Cl Cl 180.00(3) . 5_656 ? O10 Cl Y1 0.000(5) . 1_556 ? Cl Cl Y1 180.000(5) 5_656 1_556 ? O10 Cl X3 74.1(5) . . ? Cl Cl X3 105.9(5) 5_656 . ? Y1 Cl X3 74.1(5) 1_556 . ? O10 Cl X3 74.1(5) . 2_665 ? Cl Cl X3 105.9(5) 5_656 2_665 ? Y1 Cl X3 74.1(5) 1_556 2_665 ? X3 Cl X3 148.2(11) . 2_665 ? O10 Cl X3 74.1(5) . 3_655 ? Cl Cl X3 105.9(5) 5_656 3_655 ? Y1 Cl X3 74.1(5) 1_556 3_655 ? X3 Cl X3 85.7(3) . 3_655 ? X3 Cl X3 85.7(3) 2_665 3_655 ? O10 Cl X3 74.1(5) . 4_565 ? Cl Cl X3 105.9(5) 5_656 4_565 ? Y1 Cl X3 74.1(5) 1_556 4_565 ? X3 Cl X3 85.7(3) . 4_565 ? X3 Cl X3 85.7(3) 2_665 4_565 ? X3 Cl X3 148.2(11) 3_655 4_565 ? O10 Cl Y1A 0.000(5) . 1_556 ? Cl Cl Y1A 180.000(5) 5_656 1_556 ? Y1 Cl Y1A 0.0 1_556 1_556 ? X3 Cl Y1A 74.1(5) . 1_556 ? X3 Cl Y1A 74.1(5) 2_665 1_556 ? X3 Cl Y1A 74.1(5) 3_655 1_556 ? X3 Cl Y1A 74.1(5) 4_565 1_556 ? O10 Cl Bi3 81.8(6) . . ? Cl Cl Bi3 98.2(6) 5_656 . ? Y1 Cl Bi3 81.8(6) 1_556 . ? X3 Cl Bi3 8.4(3) . . ? X3 Cl Bi3 155.7(11) 2_665 . ? X3 Cl Bi3 84.6(2) 3_655 . ? X3 Cl Bi3 91.0(4) 4_565 . ? Y1A Cl Bi3 81.8(6) 1_556 . ? O10 Cl Bi3 81.8(6) . 2_665 ? Cl Cl Bi3 98.2(6) 5_656 2_665 ? Y1 Cl Bi3 81.8(6) 1_556 2_665 ? X3 Cl Bi3 155.7(11) . 2_665 ? X3 Cl Bi3 8.4(3) 2_665 2_665 ? X3 Cl Bi3 91.0(4) 3_655 2_665 ? X3 Cl Bi3 84.6(2) 4_565 2_665 ? Y1A Cl Bi3 81.8(6) 1_556 2_665 ? Bi3 Cl Bi3 163.6(12) . 2_665 ? O10 Cl Bi3 81.8(6) . 3_655 ? Cl Cl Bi3 98.2(6) 5_656 3_655 ? Y1 Cl Bi3 81.8(6) 1_556 3_655 ? X3 Cl Bi3 91.0(4) . 3_655 ? X3 Cl Bi3 84.6(2) 2_665 3_655 ? X3 Cl Bi3 8.4(3) 3_655 3_655 ? X3 Cl Bi3 155.7(11) 4_565 3_655 ? Y1A Cl Bi3 81.8(6) 1_556 3_655 ? Bi3 Cl Bi3 88.84(17) . 3_655 ? Bi3 Cl Bi3 88.84(17) 2_665 3_655 ? O10 Cl Bi3 81.8(6) . 4_565 ? Cl Cl Bi3 98.2(6) 5_656 4_565 ? Y1 Cl Bi3 81.8(6) 1_556 4_565 ? X3 Cl Bi3 84.6(2) . 4_565 ? X3 Cl Bi3 91.0(4) 2_665 4_565 ? X3 Cl Bi3 155.7(11) 3_655 4_565 ? X3 Cl Bi3 8.4(3) 4_565 4_565 ? Y1A Cl Bi3 81.8(6) 1_556 4_565 ? Bi3 Cl Bi3 88.84(17) . 4_565 ? Bi3 Cl Bi3 88.84(17) 2_665 4_565 ? Bi3 Cl Bi3 163.6(12) 3_655 4_565 ? O10 Cl O7B 94.0(4) . . ? Cl Cl O7B 86.0(4) 5_656 . ? Y1 Cl O7B 94.0(4) 1_556 . ? X3 Cl O7B 44.18(7) . . ? X3 Cl O7B 139.1(3) 2_665 . ? X3 Cl O7B 53.42(8) 3_655 . ? X3 Cl O7B 129.4(2) 4_565 . ? Y1A Cl O7B 94.0(4) 1_556 . ? Bi3 Cl O7B 38.4(3) . . ? Bi3 Cl O7B 143.5(3) 2_665 . ? Bi3 Cl O7B 54.71(18) 3_655 . ? Bi3 Cl O7B 126.7(2) 4_565 . ? O10 Cl O7B 94.0(4) . 2_665 ? Cl Cl O7B 86.0(4) 5_656 2_665 ? Y1 Cl O7B 94.0(4) 1_556 2_665 ? X3 Cl O7B 139.1(3) . 2_665 ? X3 Cl O7B 44.18(7) 2_665 2_665 ? X3 Cl O7B 129.4(2) 3_655 2_665 ? X3 Cl O7B 53.42(8) 4_565 2_665 ? Y1A Cl O7B 94.0(4) 1_556 2_665 ? Bi3 Cl O7B 143.5(3) . 2_665 ? Bi3 Cl O7B 38.4(3) 2_665 2_665 ? Bi3 Cl O7B 126.7(2) 3_655 2_665 ? Bi3 Cl O7B 54.71(18) 4_565 2_665 ? O7B Cl O7B 172.0(9) . 2_665 ? O10 Cl O7B 94.0(4) . 3_655 ? Cl Cl O7B 86.0(4) 5_656 3_655 ? Y1 Cl O7B 94.0(4) 1_556 3_655 ? X3 Cl O7B 129.4(2) . 3_655 ? X3 Cl O7B 53.42(8) 2_665 3_655 ? X3 Cl O7B 44.18(7) 3_655 3_655 ? X3 Cl O7B 139.1(3) 4_565 3_655 ? Y1A Cl O7B 94.0(4) 1_556 3_655 ? Bi3 Cl O7B 126.7(2) . 3_655 ? Bi3 Cl O7B 54.71(18) 2_665 3_655 ? Bi3 Cl O7B 38.4(3) 3_655 3_655 ? Bi3 Cl O7B 143.5(3) 4_565 3_655 ? O7B Cl O7B 89.72(6) . 3_655 ? O7B Cl O7B 89.72(6) 2_665 3_655 ? O10 Cl O7B 94.0(4) . 4_565 ? Cl Cl O7B 86.0(4) 5_656 4_565 ? Y1 Cl O7B 94.0(4) 1_556 4_565 ? X3 Cl O7B 53.42(8) . 4_565 ? X3 Cl O7B 129.4(2) 2_665 4_565 ? X3 Cl O7B 139.1(3) 3_655 4_565 ? X3 Cl O7B 44.18(7) 4_565 4_565 ? Y1A Cl O7B 94.0(4) 1_556 4_565 ? Bi3 Cl O7B 54.71(18) . 4_565 ? Bi3 Cl O7B 126.7(2) 2_665 4_565 ? Bi3 Cl O7B 143.5(3) 3_655 4_565 ? Bi3 Cl O7B 38.4(3) 4_565 4_565 ? O7B Cl O7B 89.72(6) . 4_565 ? O7B Cl O7B 89.72(6) 2_665 4_565 ? O7B Cl O7B 172.0(9) 3_655 4_565 ? T1 O11 Y2 132.24(5) 1_655 1_655 ? T1 O11 Y3AL 125.04(5) 1_655 . ? Y2 O11 Y3AL 101.88(4) 1_655 . ? T1 O11 Bi3 70.2(4) 1_655 9_766 ? Y2 O11 Bi3 110.2(3) 1_655 9_766 ? Y3AL O11 Bi3 103.45(18) . 9_766 ? T1 O11 X3 77.42(18) 1_655 9_766 ? Y2 O11 X3 103.69(6) 1_655 9_766 ? Y3AL O11 X3 101.48(4) . 9_766 ? Bi3 O11 X3 7.6(3) 9_766 9_766 ? T1 O11 O7B 41.42(14) 1_655 9_766 ? Y2 O11 O7B 98.92(7) 1_655 9_766 ? Y3AL O11 O7B 152.82(7) . 9_766 ? Bi3 O11 O7B 52.4(2) 9_766 9_766 ? X3 O11 O7B 56.27(8) 9_766 9_766 ? T1 O11 O7B 38.37(12) 1_655 15_765 ? Y2 O11 O7B 159.09(6) 1_655 15_765 ? Y3AL O11 O7B 93.53(7) . 15_765 ? Bi3 O11 O7B 51.7(3) 9_766 15_765 ? X3 O11 O7B 58.89(8) 9_766 15_765 ? O7B O11 O7B 62.46(11) 9_766 15_765 ? T1 O11 O7A 73.91(8) 1_655 . ? Y2 O11 O7A 149.78(3) 1_655 . ? Y3AL O11 O7A 58.61(3) . . ? Bi3 O11 O7A 59.4(2) 9_766 . ? X3 O11 O7A 62.96(4) 9_766 . ? O7B O11 O7A 95.06(6) 9_766 . ? O7B O11 O7A 36.41(7) 15_765 . ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 33.14 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 1.092 _refine_diff_density_min -0.301 _refine_diff_density_rms 0.070