data_vi 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Al16.60 As0.30 Bi0.20 Ca38 Cl0.26 Fe2 Mg5.60 Mn3.40 O2156 Si36' 
_chemical_formula_weight          5986.18 
 
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' 
 
_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                    15.5948(12) 
_cell_length_b                    15.5948(12) 
_cell_length_c                    11.7794(10) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      2864.7(4) 
_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     3.470 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              3204 
_exptl_absorpt_coefficient_mu     3.432 
_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      0.71073 
_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             15053 
_diffrn_reflns_av_R_equivalents   0.1161 
_diffrn_reflns_av_sigmaI/netI     0.1014 
_diffrn_reflns_limit_h_min        -21 
_diffrn_reflns_limit_h_max        18 
_diffrn_reflns_limit_k_min        -21 
_diffrn_reflns_limit_k_max        20 
_diffrn_reflns_limit_l_min        -16 
_diffrn_reflns_limit_l_max        12 
_diffrn_reflns_theta_min          1.85 
_diffrn_reflns_theta_max          30.07 
_reflns_number_total              2108 
_reflns_number_gt                 1145 
_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^)+(0.0302P)^2^+7.3720P] 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        0.00002(10) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_number_reflns          2108 
_refine_ls_number_parameters      179 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1358 
_refine_ls_R_factor_gt            0.0445 
_refine_ls_wR_factor_ref          0.1113 
_refine_ls_wR_factor_gt           0.0806 
_refine_ls_goodness_of_fit_ref    1.030 
_refine_ls_restrained_S_all       1.030 
_refine_ls_shift/su_max           5.757 
_refine_ls_shift/su_mean          0.032 
 
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 0.0127(6) Uani 0.90(2) 4 d SP . . 
X1MN Mn 0.7500 0.2500 0.2500 0.0127(6) Uani 0.10(2) 4 d SP . . 
X2CA Ca 0.81066(7) 0.04548(7) 0.37882(9) 0.0123(3) Uani 1.000(5) 1 d . . . 
X3 Ca 0.9023(4) 0.8205(6) 0.8935(10) 0.0189(9) Uani 0.88(5) 1 d P . . 
Bi3 Bi 0.9107(10) 0.8365(14) 0.8684(18) 0.012(3) Uani 0.069(11) 1 d P . . 
X4 Ca 0.7500 0.7500 0.1369(6) 0.0142(17) Uani 0.515(12) 4 d SP . . 
Y1MN Mn 0.7500 0.7500 0.0567(5) 0.0155(15) Uani 0.479(9) 4 d SP . . 
Y2 Al 0.0000 0.0000 0.0000 0.0100(4) Uani 1 2 d S . . 
Y3AL Al 0.88771(9) 0.12017(9) 0.12598(13) 0.0103(4) Uani 0.940(6) 1 d P . . 
Y3MN Mn 0.88771(9) 0.12017(9) 0.12598(13) 0.0103(4) Uani 0.060(6) 1 d P . . 
Z1 Si 0.2500 0.7500 0.0000 0.0087(6) Uani 1 4 d S . . 
Z2 Si 0.82001(8) 0.04132(8) 0.87112(12) 0.0073(3) Uani 1 1 d . . . 
Z3 Si 0.91633(9) 0.84938(9) 0.36405(12) 0.0115(3) Uani 1 1 d . . . 
T1 As 0.0555(16) 0.0555(16) 0.2500 0.055(13) Uani 0.039(4) 2 d SP . . 
O1 O2- 0.7797(2) 0.1730(2) 0.0852(3) 0.0124(8) Uani 1 1 d . . . 
O2 O2- 0.8819(2) 0.1603(2) 0.2809(3) 0.0106(8) Uani 1 1 d . . . 
O3 O2- 0.9541(2) 0.2234(2) 0.0756(3) 0.0114(8) Uani 1 1 d . . . 
O4 O2- 0.9391(2) 0.1055(2) 0.4693(3) 0.0111(8) Uani 1 1 d . . . 
O5 O2- 0.8284(2) 0.0125(2) 0.1793(3) 0.0141(8) Uani 1 1 d . . . 
O6 O2- 0.8794(2) 0.7264(2) 0.0581(3) 0.0192(9) Uani 1 1 d . . . 
O7A O2- 0.8230(16) 0.9435(7) 0.8220(12) 0.0113(12) Uiso 0.61(9) 1 d P . . 
O7B O2- 0.841(2) 0.9493(11) 0.8123(17) 0.0113(12) Uiso 0.39(9) 1 d P . . 
O8 O2- 0.9394(2) 0.9083(2) 0.0682(3) 0.0105(8) Uani 1 1 d . . . 
O9 O2- 0.8541(2) 0.8541(2) 0.2500 0.0135(11) Uani 1 2 d S . . 
O10 O2- 0.7500 0.7500 0.883(4) 0.021(5) Uiso 0.63(10) 4 d SP . . 
Cl Cl 0.7500 0.7500 0.844(2) 0.026(5) Uiso 0.40(5) 4 d SP . . 
O11 O2- 0.9967(2) 0.0608(2) 0.1364(3) 0.0100(7) 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 0.0221(12) 0.0102(11) 0.0059(11) 0.000 0.000 0.000 
X1MN 0.0221(12) 0.0102(11) 0.0059(11) 0.000 0.000 0.000 
X2CA 0.0120(6) 0.0146(6) 0.0102(6) 0.0005(5) -0.0009(5) 0.0001(4) 
X3 0.0185(14) 0.0129(17) 0.025(2) 0.0009(15) -0.0030(14) 0.0005(11) 
Bi3 0.011(3) 0.010(5) 0.015(5) 0.002(3) -0.003(3) 0.004(3) 
X4 0.0134(16) 0.0134(16) 0.016(4) 0.000 0.000 0.000 
Y1MN 0.0119(13) 0.0119(13) 0.023(4) 0.000 0.000 0.000 
Y2 0.0084(10) 0.0091(10) 0.0124(12) 0.0022(9) -0.0002(9) -0.0008(9) 
Y3AL 0.0108(8) 0.0120(8) 0.0083(8) 0.0001(6) 0.0008(6) 0.0004(5) 
Y3MN 0.0108(8) 0.0120(8) 0.0083(8) 0.0001(6) 0.0008(6) 0.0004(5) 
Z1 0.0087(8) 0.0087(8) 0.0087(15) 0.000 0.000 0.000 
Z2 0.0081(6) 0.0090(7) 0.0050(7) 0.0005(6) -0.0011(6) -0.0001(5) 
Z3 0.0161(8) 0.0095(7) 0.0089(8) -0.0007(6) 0.0015(6) 0.0006(6) 
T1 0.058(16) 0.058(16) 0.05(2) -0.006(11) 0.006(11) 0.021(16) 
O1 0.0140(19) 0.0113(18) 0.012(2) 0.0004(15) -0.0002(16) -0.0001(14) 
O2 0.0133(18) 0.0113(19) 0.0072(19) 0.0009(15) 0.0002(15) 0.0007(14) 
O3 0.0143(19) 0.0118(18) 0.0079(19) -0.0021(15) -0.0003(15) 0.0036(14) 
O4 0.0127(19) 0.0124(18) 0.008(2) -0.0004(15) -0.0013(15) -0.0023(14) 
O5 0.015(2) 0.018(2) 0.009(2) 0.0000(17) 0.0019(16) 0.0071(16) 
O6 0.031(2) 0.014(2) 0.013(2) 0.0052(16) -0.0001(18) 0.0053(16) 
O8 0.0113(18) 0.0122(18) 0.0081(19) 0.0000(15) 0.0021(14) 0.0014(15) 
O9 0.0172(17) 0.0172(17) 0.006(3) -0.0003(17) 0.0003(17) -0.006(2) 
O11 0.0071(17) 0.0118(17) 0.011(2) -0.0026(15) -0.0010(15) -0.0004(14) 
 
_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 2.330(4) . ? 
X1CA O1 2.330(4) 6 ? 
X1CA O1 2.330(4) 2_655 ? 
X1CA O1 2.330(4) 5_655 ? 
X1CA O2 2.514(3) . ? 
X1CA O2 2.514(3) 5_655 ? 
X1CA O2 2.514(3) 6 ? 
X1CA O2 2.514(3) 2_655 ? 
X1CA Z1 2.9448(3) 13_666 ? 
X1CA Z1 2.9448(3) 9_665 ? 
X1CA Y3AL 3.2932(14) . ? 
X2CA O5 2.332(4) 5_655 ? 
X2CA O8 2.333(3) 7_545 ? 
X2CA O3 2.378(4) 15_666 ? 
X2CA O2 2.402(4) . ? 
X2CA O5 2.422(4) . ? 
X2CA O4 2.454(3) . ? 
X2CA O1 2.474(4) 5_655 ? 
X2CA O6 2.998(4) 7_545 ? 
X2CA Z2 3.1203(16) 15_665 ? 
X2CA Z3 3.2119(18) 3_645 ? 
X2CA Y3MN 3.2749(18) 15_666 ? 
X2CA Y3AL 3.2749(18) 15_666 ? 
X3 Bi3 0.408(17) . ? 
X3 O3 2.370(7) 9_766 ? 
X3 O7B 2.423(17) . ? 
X3 O7A 2.433(13) . ? 
X3 O6 2.458(14) 1_556 ? 
X3 O11 2.457(11) 9_766 ? 
X3 O7A 2.48(3) 4_565 ? 
X3 O8 2.539(8) 1_556 ? 
X3 O7B 2.55(2) 7_556 ? 
X3 O7A 2.618(17) 7_556 ? 
X3 O10 2.620(8) . ? 
X3 T1 2.65(3) 9_666 ? 
X3 Cl 2.681(9) . ? 
X3 O7B 2.79(4) 4_565 ? 
X3 O6 2.937(10) 3_656 ? 
Bi3 O11 2.16(2) 9_766 ? 
Bi3 O7B 2.17(2) . ? 
Bi3 O7B 2.21(3) 7_556 ? 
Bi3 O7A 2.23(2) . ? 
Bi3 T1 2.25(4) 9_666 ? 
Bi3 O7A 2.31(3) 7_556 ? 
Bi3 O3 2.399(13) 9_766 ? 
Bi3 O7A 2.60(3) 4_565 ? 
Bi3 O8 2.645(15) 1_556 ? 
Bi3 O10 2.85(2) . ? 
Bi3 O6 2.86(3) 1_556 ? 
Bi3 Cl 2.86(2) . ? 
Bi3 O7B 2.90(4) 4_565 ? 
Bi3 O6 3.16(2) 3_656 ? 
X4 Y1MN 0.944(5) . ? 
X4 O6 2.252(5) 4_565 ? 
X4 O6 2.252(5) 2_665 ? 
X4 O6 2.252(5) 3_655 ? 
X4 O6 2.252(5) . ? 
X4 O9 2.654(5) . ? 
X4 O9 2.654(5) 2_665 ? 
X4 O9 2.654(5) 4_565 ? 
X4 O9 2.654(5) 3_655 ? 
X4 X4 2.664(13) 5_655 ? 
X4 O10 2.99(4) 1_554 ? 
X4 Z3 3.0216(15) 8_665 ? 
Y1MN O10 2.04(4) 1_554 ? 
Y1MN O6 2.051(4) 4_565 ? 
Y1MN O6 2.051(4) 3_655 ? 
Y1MN O6 2.051(4) 2_665 ? 
Y1MN O6 2.051(4) . ? 
Y1MN Cl 2.51(3) 1_554 ? 
Y1MN X3 3.248(13) 2_664 ? 
Y1MN X3 3.248(12) 4_564 ? 
Y1MN X3 3.248(13) 1_554 ? 
Y1MN X3 3.248(12) 3_654 ? 
Y1MN Bi3 3.61(3) 2_664 ? 
Y2 O11 1.866(3) 9_655 ? 
Y2 O11 1.866(3) 1_455 ? 
Y2 O8 1.892(3) 9_665 ? 
Y2 O8 1.892(3) 1_445 ? 
Y2 O4 1.934(3) 15_565 ? 
Y2 O4 1.934(3) 7_545 ? 
Y2 Y3MN 2.9632(14) 9_655 ? 
Y2 Y3AL 2.9632(14) 1_455 ? 
Y2 Y3AL 2.9632(14) 9_655 ? 
Y2 Y3MN 2.9632(14) 1_455 ? 
Y2 Bi3 3.294(17) 1_444 ? 
Y2 Bi3 3.294(17) 9_666 ? 
Y3AL O2 1.931(4) . ? 
Y3AL O1 1.935(4) . ? 
Y3AL O11 1.939(3) . ? 
Y3AL O3 2.003(4) . ? 
Y3AL O5 2.017(4) . ? 
Y3AL O4 2.067(4) 15_665 ? 
Y3AL Y2 2.9633(14) 1_655 ? 
Y3AL Bi3 3.217(18) 9_766 ? 
Y3AL X2CA 3.2750(18) 15_665 ? 
Y3AL X2CA 3.3061(18) 5_655 ? 
Y3AL X3 3.411(8) 9_766 ? 
Z1 O1 1.632(3) 3 ? 
Z1 O1 1.632(3) 10_565 ? 
Z1 O1 1.632(3) 4_565 ? 
Z1 O1 1.632(3) 9_665 ? 
Z1 X1MN 2.9448(3) 9_665 ? 
Z1 X1CA 2.9448(3) 9_665 ? 
Z1 X1CA 2.9448(3) 3 ? 
Z1 X1MN 2.9448(3) 3 ? 
Z1 X2CA 3.6202(11) 14_665 ? 
Z1 X2CA 3.6201(11) 8_565 ? 
Z1 X2CA 3.6201(11) 13_565 ? 
Z1 X2CA 3.6201(11) 7 ? 
Z2 O7B 1.626(14) 1_545 ? 
Z2 O2 1.631(4) 15_666 ? 
Z2 O7A 1.632(9) 1_545 ? 
Z2 O3 1.634(4) 11_666 ? 
Z2 O4 1.667(4) 15_666 ? 
Z2 T1 2.843(4) 9_656 ? 
Z2 X3 3.094(6) 3_645 ? 
Z2 X2CA 3.1203(16) 15_666 ? 
Z2 Bi3 3.179(15) 3_645 ? 
Z2 Bi3 3.49(2) 7_546 ? 
Z2 Bi3 3.493(17) 1_545 ? 
Z2 X2CA 3.5825(18) 5_656 ? 
Z3 O6 1.603(4) 6_565 ? 
Z3 O5 1.618(4) 7_655 ? 
Z3 O8 1.620(4) 7 ? 
Z3 O9 1.659(2) . ? 
Z3 X4 3.0216(15) 5_655 ? 
Z3 X2CA 3.2119(18) 4_665 ? 
Z3 X3 3.327(9) 7_556 ? 
Z3 X2CA 3.4781(18) 1_565 ? 
Z3 Bi3 3.521(18) 7_556 ? 
Z3 X2CA 3.5504(18) 7_655 ? 
Z3 X3 3.902(13) 6_566 ? 
Z3 Bi3 4.28(3) 6_566 ? 
T1 O11 1.625(13) 1_455 ? 
T1 O11 1.625(13) 7_545 ? 
T1 O7B 1.78(5) 15_665 ? 
T1 O7B 1.78(5) 9_666 ? 
T1 O7A 2.08(4) 15_665 ? 
T1 O7A 2.08(4) 9_666 ? 
T1 Bi3 2.25(4) 15_665 ? 
T1 Bi3 2.25(4) 9_666 ? 
T1 X3 2.65(3) 15_665 ? 
T1 X3 2.65(3) 9_666 ? 
T1 Z2 2.843(4) 15_565 ? 
T1 Z2 2.843(4) 9_656 ? 
O1 Z1 1.632(3) 9_665 ? 
O1 X2CA 2.474(4) 5_655 ? 
O2 Z2 1.631(3) 15_665 ? 
O2 Bi3 3.68(2) 9_766 ? 
O2 X3 3.955(11) 9_766 ? 
O3 Z2 1.634(4) 12_656 ? 
O3 X3 2.370(7) 9_766 ? 
O3 X2CA 2.378(4) 15_665 ? 
O3 Bi3 2.399(13) 9_766 ? 
O4 Z2 1.668(4) 15_665 ? 
O4 Y2 1.934(3) 7_655 ? 
O4 Y3MN 2.066(4) 15_666 ? 
O4 Y3AL 2.066(4) 15_666 ? 
O4 Bi3 3.705(17) 15_765 ? 
O4 X3 3.856(8) 15_765 ? 
O4 Bi3 3.931(15) 7_546 ? 
O4 X3 4.010(7) 7_546 ? 
O5 Z3 1.618(4) 7_545 ? 
O5 X2CA 2.332(4) 5_655 ? 
O6 Z3 1.603(4) 6_565 ? 
O6 X3 2.458(14) 1_554 ? 
O6 Bi3 2.86(3) 1_554 ? 
O6 X3 2.937(10) 4_564 ? 
O6 X2CA 2.998(4) 7_655 ? 
O6 Bi3 3.16(2) 4_564 ? 
O7A O7B 0.31(2) . ? 
O7A Z2 1.632(9) 1_565 ? 
O7A T1 2.08(4) 9_666 ? 
O7A Bi3 2.31(3) 7_556 ? 
O7A X3 2.48(3) 3_655 ? 
O7A Bi3 2.60(3) 3_655 ? 
O7A X3 2.619(17) 7_556 ? 
O7B Z2 1.626(14) 1_565 ? 
O7B T1 1.78(5) 9_666 ? 
O7B Bi3 2.21(3) 7_556 ? 
O7B X3 2.55(2) 7_556 ? 
O7B X3 2.79(4) 3_655 ? 
O7B Bi3 2.90(4) 3_655 ? 
O8 Z3 1.620(4) 7 ? 
O8 Y2 1.892(3) 1_665 ? 
O8 X2CA 2.333(3) 7_655 ? 
O8 X3 2.539(8) 1_554 ? 
O8 Bi3 2.645(15) 1_554 ? 
O9 Z3 1.659(2) 7 ? 
O9 X4 2.654(5) 5_655 ? 
O10 Cl 0.46(2) . ? 
O10 Y1MN 2.04(4) 1_556 ? 
O10 X3 2.619(8) 2_665 ? 
O10 X3 2.619(8) 3_655 ? 
O10 X3 2.619(8) 4_565 ? 
O10 Bi3 2.85(2) 2_665 ? 
O10 Bi3 2.85(2) 4_565 ? 
O10 Bi3 2.85(2) 3_655 ? 
O10 X4 2.99(4) 1_556 ? 
O10 Bi3 4.11(3) 8_666 ? 
Cl Cl 2.22(5) 5_656 ? 
Cl Y1MN 2.51(3) 1_556 ? 
Cl X3 2.681(9) 2_665 ? 
Cl X3 2.681(9) 3_655 ? 
Cl X3 2.681(9) 4_565 ? 
Cl Bi3 2.86(2) 2_665 ? 
Cl Bi3 2.86(2) 3_655 ? 
Cl Bi3 2.86(2) 4_565 ? 
Cl X4 3.45(3) 1_556 ? 
O11 T1 1.625(13) 1_655 ? 
O11 Y2 1.866(3) 1_655 ? 
O11 Bi3 2.16(2) 9_766 ? 
O11 X3 2.457(11) 9_766 ? 
O11 Bi3 3.80(3) 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 157.06(16) . 6 ? 
O1 X1CA O1 67.10(16) . 2_655 ? 
O1 X1CA O1 117.92(16) 6 2_655 ? 
O1 X1CA O1 117.92(17) . 5_655 ? 
O1 X1CA O1 67.10(16) 6 5_655 ? 
O1 X1CA O1 157.06(16) 2_655 5_655 ? 
O1 X1CA O2 70.78(11) . . ? 
O1 X1CA O2 90.22(11) 6 . ? 
O1 X1CA O2 124.77(11) 2_655 . ? 
O1 X1CA O2 75.83(11) 5_655 . ? 
O1 X1CA O2 75.83(11) . 5_655 ? 
O1 X1CA O2 124.77(11) 6 5_655 ? 
O1 X1CA O2 90.22(11) 2_655 5_655 ? 
O1 X1CA O2 70.78(11) 5_655 5_655 ? 
O2 X1CA O2 112.35(15) . 5_655 ? 
O1 X1CA O2 90.22(11) . 6 ? 
O1 X1CA O2 70.78(11) 6 6 ? 
O1 X1CA O2 75.83(11) 2_655 6 ? 
O1 X1CA O2 124.77(11) 5_655 6 ? 
O2 X1CA O2 70.21(15) . 6 ? 
O2 X1CA O2 163.37(15) 5_655 6 ? 
O1 X1CA O2 124.77(11) . 2_655 ? 
O1 X1CA O2 75.83(11) 6 2_655 ? 
O1 X1CA O2 70.78(11) 2_655 2_655 ? 
O1 X1CA O2 90.22(11) 5_655 2_655 ? 
O2 X1CA O2 163.37(15) . 2_655 ? 
O2 X1CA O2 70.21(15) 5_655 2_655 ? 
O2 X1CA O2 112.35(15) 6 2_655 ? 
O1 X1CA Z1 146.45(8) . 13_666 ? 
O1 X1CA Z1 33.55(8) 6 13_666 ? 
O1 X1CA Z1 146.45(8) 2_655 13_666 ? 
O1 X1CA Z1 33.55(8) 5_655 13_666 ? 
O2 X1CA Z1 81.69(8) . 13_666 ? 
O2 X1CA Z1 98.31(8) 5_655 13_666 ? 
O2 X1CA Z1 98.31(8) 6 13_666 ? 
O2 X1CA Z1 81.69(8) 2_655 13_666 ? 
O1 X1CA Z1 33.55(8) . 9_665 ? 
O1 X1CA Z1 146.45(8) 6 9_665 ? 
O1 X1CA Z1 33.55(8) 2_655 9_665 ? 
O1 X1CA Z1 146.45(8) 5_655 9_665 ? 
O2 X1CA Z1 98.31(8) . 9_665 ? 
O2 X1CA Z1 81.69(8) 5_655 9_665 ? 
O2 X1CA Z1 81.69(8) 6 9_665 ? 
O2 X1CA Z1 98.31(8) 2_655 9_665 ? 
Z1 X1CA Z1 180.0 13_666 9_665 ? 
O1 X1CA Y3AL 35.27(9) . . ? 
O1 X1CA Y3AL 123.85(9) 6 . ? 
O1 X1CA Y3AL 94.42(9) 2_655 . ? 
O1 X1CA Y3AL 100.51(9) 5_655 . ? 
O2 X1CA Y3AL 35.75(8) . . ? 
O2 X1CA Y3AL 97.30(8) 5_655 . ? 
O2 X1CA Y3AL 75.20(8) 6 . ? 
O2 X1CA Y3AL 160.02(8) 2_655 . ? 
Z1 X1CA Y3AL 116.33(3) 13_666 . ? 
Z1 X1CA Y3AL 63.67(3) 9_665 . ? 
O5 X2CA O8 121.97(13) 5_655 7_545 ? 
O5 X2CA O3 94.55(12) 5_655 15_666 ? 
O8 X2CA O3 83.51(12) 7_545 15_666 ? 
O5 X2CA O2 116.95(13) 5_655 . ? 
O8 X2CA O2 110.79(12) 7_545 . ? 
O3 X2CA O2 124.70(12) 15_666 . ? 
O5 X2CA O5 76.96(14) 5_655 . ? 
O8 X2CA O5 91.98(12) 7_545 . ? 
O3 X2CA O5 166.44(13) 15_666 . ? 
O2 X2CA O5 68.85(12) . . ? 
O5 X2CA O4 166.08(12) 5_655 . ? 
O8 X2CA O4 67.76(11) 7_545 . ? 
O3 X2CA O4 75.97(12) 15_666 . ? 
O2 X2CA O4 63.08(11) . . ? 
O5 X2CA O4 114.16(12) . . ? 
O5 X2CA O1 72.40(12) 5_655 5_655 ? 
O8 X2CA O1 153.60(13) 7_545 5_655 ? 
O3 X2CA O1 72.75(12) 15_666 5_655 ? 
O2 X2CA O1 75.32(12) . 5_655 ? 
O5 X2CA O1 113.71(13) . 5_655 ? 
O4 X2CA O1 94.81(12) . 5_655 ? 
O5 X2CA O6 58.29(11) 5_655 7_545 ? 
O8 X2CA O6 66.90(11) 7_545 7_545 ? 
O3 X2CA O6 70.30(11) 15_666 7_545 ? 
O2 X2CA O6 164.95(12) . 7_545 ? 
O5 X2CA O6 96.16(11) . 7_545 ? 
O4 X2CA O6 125.42(11) . 7_545 ? 
O1 X2CA O6 113.70(11) 5_655 7_545 ? 
O5 X2CA Z2 145.87(10) 5_655 15_665 ? 
O8 X2CA Z2 90.07(9) 7_545 15_665 ? 
O3 X2CA Z2 101.03(9) 15_666 15_665 ? 
O2 X2CA Z2 31.02(8) . 15_665 ? 
O5 X2CA Z2 91.72(9) . 15_665 ? 
O4 X2CA Z2 32.07(8) . 15_665 ? 
O1 X2CA Z2 83.46(8) 5_655 15_665 ? 
O6 X2CA Z2 155.83(8) 7_545 15_665 ? 
O5 X2CA Z3 28.72(9) 5_655 3_645 ? 
O8 X2CA Z3 94.43(9) 7_545 3_645 ? 
O3 X2CA Z3 83.18(9) 15_666 3_645 ? 
O2 X2CA Z3 143.18(9) . 3_645 ? 
O5 X2CA Z3 84.43(9) . 3_645 ? 
O4 X2CA Z3 153.74(9) . 3_645 ? 
O1 X2CA Z3 94.05(9) 5_655 3_645 ? 
O6 X2CA Z3 29.66(7) 7_545 3_645 ? 
Z2 X2CA Z3 174.16(5) 15_665 3_645 ? 
O5 X2CA Y3MN 129.61(10) 5_655 15_666 ? 
O8 X2CA Y3MN 76.86(9) 7_545 15_666 ? 
O3 X2CA Y3MN 37.44(9) 15_666 15_666 ? 
O2 X2CA Y3MN 92.16(9) . 15_666 ? 
O5 X2CA Y3MN 153.21(9) . 15_666 ? 
O4 X2CA Y3MN 39.08(8) . 15_666 ? 
O1 X2CA Y3MN 77.27(9) 5_655 15_666 ? 
O6 X2CA Y3MN 101.46(8) 7_545 15_666 ? 
Z2 X2CA Y3MN 64.43(4) 15_665 15_666 ? 
Z3 X2CA Y3MN 120.24(5) 3_645 15_666 ? 
O5 X2CA Y3AL 129.61(10) 5_655 15_666 ? 
O8 X2CA Y3AL 76.86(9) 7_545 15_666 ? 
O3 X2CA Y3AL 37.44(9) 15_666 15_666 ? 
O2 X2CA Y3AL 92.16(9) . 15_666 ? 
O5 X2CA Y3AL 153.21(9) . 15_666 ? 
O4 X2CA Y3AL 39.08(8) . 15_666 ? 
O1 X2CA Y3AL 77.27(9) 5_655 15_666 ? 
O6 X2CA Y3AL 101.46(8) 7_545 15_666 ? 
Z2 X2CA Y3AL 64.43(4) 15_665 15_666 ? 
Z3 X2CA Y3AL 120.24(5) 3_645 15_666 ? 
Y3MN X2CA Y3AL 0.00(2) 15_666 15_666 ? 
Bi3 X3 O3 89(3) . 9_766 ? 
Bi3 X3 O7B 48(3) . . ? 
O3 X3 O7B 132.4(11) 9_766 . ? 
Bi3 X3 O7A 55(3) . . ? 
O3 X3 O7A 139.6(8) 9_766 . ? 
O7B X3 O7A 7.4(5) . . ? 
Bi3 X3 O6 169(3) . 1_556 ? 
O3 X3 O6 81.0(3) 9_766 1_556 ? 
O7B X3 O6 138.5(9) . 1_556 ? 
O7A X3 O6 132.1(7) . 1_556 ? 
Bi3 X3 O11 40(3) . 9_766 ? 
O3 X3 O11 68.5(2) 9_766 9_766 ? 
O7B X3 O11 64.7(10) . 9_766 ? 
O7A X3 O11 71.5(7) . 9_766 ? 
O6 X3 O11 131.0(3) 1_556 9_766 ? 
Bi3 X3 O7A 103(3) . 4_565 ? 
O3 X3 O7A 63.0(3) 9_766 4_565 ? 
O7B X3 O7A 135.9(5) . 4_565 ? 
O7A X3 O7A 136.6(6) . 4_565 ? 
O6 X3 O7A 76.5(4) 1_556 4_565 ? 
O11 X3 O7A 117.8(4) 9_766 4_565 ? 
Bi3 X3 O8 101(3) . 1_556 ? 
O3 X3 O8 79.4(2) 9_766 1_556 ? 
O7B X3 O8 87.9(4) . 1_556 ? 
O7A X3 O8 88.3(3) . 1_556 ? 
O6 X3 O8 73.5(3) 1_556 1_556 ? 
O11 X3 O8 64.09(19) 9_766 1_556 ? 
O7A X3 O8 134.7(5) 4_565 1_556 ? 
Bi3 X3 O7B 31(3) . 7_556 ? 
O3 X3 O7B 84.8(4) 9_766 7_556 ? 
O7B X3 O7B 68.7(13) . 7_556 ? 
O7A X3 O7B 73.7(10) . 7_556 ? 
O6 X3 O7B 149.8(8) 1_556 7_556 ? 
O11 X3 O7B 65.6(10) 9_766 7_556 ? 
O7A X3 O7B 73.4(8) 4_565 7_556 ? 
O8 X3 O7B 129.6(10) 1_556 7_556 ? 
Bi3 X3 O7A 38(3) . 7_556 ? 
O3 X3 O7A 85.5(4) 9_766 7_556 ? 
O7B X3 O7A 72.7(10) . 7_556 ? 
O7A X3 O7A 77.2(8) . 7_556 ? 
O6 X3 O7A 144.0(6) 1_556 7_556 ? 
O11 X3 O7A 72.1(7) 9_766 7_556 ? 
O7A X3 O7A 67.7(6) 4_565 7_556 ? 
O8 X3 O7A 136.2(7) 1_556 7_556 ? 
O7B X3 O7A 6.7(5) 7_556 7_556 ? 
Bi3 X3 O10 121(3) . . ? 
O3 X3 O10 138.0(5) 9_766 . ? 
O7B X3 O10 88.3(10) . . ? 
O7A X3 O10 81.6(7) . . ? 
O6 X3 O10 69.7(9) 1_556 . ? 
O11 X3 O10 153.0(6) 9_766 . ? 
O7A X3 O10 80.8(4) 4_565 . ? 
O8 X3 O10 118.0(9) 1_556 . ? 
O7B X3 O10 105.6(12) 7_556 . ? 
O7A X3 O10 100.7(11) 7_556 . ? 
Bi3 X3 T1 9(3) . 9_666 ? 
O3 X3 T1 94.2(5) 9_766 9_666 ? 
O7B X3 T1 40.7(10) . 9_666 ? 
O7A X3 T1 48.0(7) . 9_666 ? 
O6 X3 T1 167.0(6) 1_556 9_666 ? 
O11 X3 T1 36.8(6) 9_766 9_666 ? 
O7A X3 T1 112.2(5) 4_565 9_666 ? 
O8 X3 T1 93.8(5) 1_556 9_666 ? 
O7B X3 T1 39.9(10) 7_556 9_666 ? 
O7A X3 T1 46.4(7) 7_556 9_666 ? 
O10 X3 T1 120.1(10) . 9_666 ? 
Bi3 X3 Cl 112(3) . . ? 
O3 X3 Cl 138.8(3) 9_766 . ? 
O7B X3 Cl 84.4(9) . . ? 
O7A X3 Cl 78.3(6) . . ? 
O6 X3 Cl 78.3(6) 1_556 . ? 
O11 X3 Cl 147.8(6) 9_766 . ? 
O7A X3 Cl 77.6(3) 4_565 . ? 
O8 X3 Cl 126.8(6) 1_556 . ? 
O7B X3 Cl 95.7(9) 7_556 . ? 
O7A X3 Cl 90.8(7) 7_556 . ? 
O10 X3 Cl 9.9(6) . . ? 
T1 X3 Cl 112.4(8) 9_666 . ? 
Bi3 X3 O7B 103(3) . 4_565 ? 
O3 X3 O7B 62.9(3) 9_766 4_565 ? 
O7B X3 O7B 135.7(8) . 4_565 ? 
O7A X3 O7B 136.6(4) . 4_565 ? 
O6 X3 O7B 76.7(4) 1_556 4_565 ? 
O11 X3 O7B 117.5(4) 9_766 4_565 ? 
O7A X3 O7B 0.3(5) 4_565 4_565 ? 
O8 X3 O7B 134.8(5) 1_556 4_565 ? 
O7B X3 O7B 73.1(9) 7_556 4_565 ? 
O7A X3 O7B 67.4(6) 7_556 4_565 ? 
O10 X3 O7B 81.0(5) . 4_565 ? 
T1 X3 O7B 111.9(5) 9_666 4_565 ? 
Cl X3 O7B 77.8(4) . 4_565 ? 
Bi3 X3 O6 120(3) . 3_656 ? 
O3 X3 O6 129.4(4) 9_766 3_656 ? 
O7B X3 O6 74.4(8) . 3_656 ? 
O7A X3 O6 68.6(6) . 3_656 ? 
O6 X3 O6 64.3(3) 1_556 3_656 ? 
O11 X3 O6 107.3(2) 9_766 3_656 ? 
O7A X3 O6 133.2(5) 4_565 3_656 ? 
O8 X3 O6 56.8(2) 1_556 3_656 ? 
O7B X3 O6 141.7(5) 7_556 3_656 ? 
O7A X3 O6 143.4(4) 7_556 3_656 ? 
O10 X3 O6 62.7(8) . 3_656 ? 
T1 X3 O6 111.2(3) 9_666 3_656 ? 
Cl X3 O6 70.5(5) . 3_656 ? 
O7B X3 O6 133.5(5) 4_565 3_656 ? 
X3 Bi3 O11 133(3) . 9_766 ? 
X3 Bi3 O7B 124(3) . . ? 
O11 Bi3 O7B 74.2(13) 9_766 . ? 
X3 Bi3 O7B 143(3) . 7_556 ? 
O11 Bi3 O7B 76.8(13) 9_766 7_556 ? 
O7B Bi3 O7B 79.7(15) . 7_556 ? 
X3 Bi3 O7A 116(3) . . ? 
O11 Bi3 O7A 81.3(10) 9_766 . ? 
O7B Bi3 O7A 8.0(6) . . ? 
O7B Bi3 O7A 84.8(13) 7_556 . ? 
X3 Bi3 T1 169(3) . 9_666 ? 
O11 Bi3 T1 43.2(8) 9_766 9_666 ? 
O7B Bi3 T1 47.4(12) . 9_666 ? 
O7B Bi3 T1 47.0(12) 7_556 9_666 ? 
O7A Bi3 T1 55.3(10) . 9_666 ? 
X3 Bi3 O7A 136(3) . 7_556 ? 
O11 Bi3 O7A 83.9(11) 9_766 7_556 ? 
O7B Bi3 O7A 83.7(13) . 7_556 ? 
O7B Bi3 O7A 7.5(6) 7_556 7_556 ? 
O7A Bi3 O7A 88.1(11) . 7_556 ? 
T1 Bi3 O7A 54.2(9) 9_666 7_556 ? 
X3 Bi3 O3 81(3) . 9_766 ? 
O11 Bi3 O3 73.0(5) 9_766 9_766 ? 
O7B Bi3 O3 147.2(15) . 9_766 ? 
O7B Bi3 O3 92.1(7) 7_556 9_766 ? 
O7A Bi3 O3 154.1(12) . 9_766 ? 
T1 Bi3 O3 104.8(10) 9_666 9_766 ? 
O7A Bi3 O3 92.1(6) 7_556 9_766 ? 
X3 Bi3 O7A 68(3) . 4_565 ? 
O11 Bi3 O7A 125.0(7) 9_766 4_565 ? 
O7B Bi3 O7A 144.1(7) . 4_565 ? 
O7B Bi3 O7A 76.8(9) 7_556 4_565 ? 
O7A Bi3 O7A 142.0(8) . 4_565 ? 
T1 Bi3 O7A 122.7(9) 9_666 4_565 ? 
O7A Bi3 O7A 70.4(6) 7_556 4_565 ? 
O3 Bi3 O7A 60.8(4) 9_766 4_565 ? 
X3 Bi3 O8 71(3) . 1_556 ? 
O11 Bi3 O8 66.1(4) 9_766 1_556 ? 
O7B Bi3 O8 90.7(6) . 1_556 ? 
O7B Bi3 O8 142.9(15) 7_556 1_556 ? 
O7A Bi3 O8 90.3(5) . 1_556 ? 
T1 Bi3 O8 101.2(9) 9_666 1_556 ? 
O7A Bi3 O8 149.9(12) 7_556 1_556 ? 
O3 Bi3 O8 76.8(4) 9_766 1_556 ? 
O7A Bi3 O8 124.0(9) 4_565 1_556 ? 
X3 Bi3 O10 52(3) . . ? 
O11 Bi3 O10 160.2(6) 9_766 . ? 
O7B Bi3 O10 87.7(12) . . ? 
O7B Bi3 O10 108.2(14) 7_556 . ? 
O7A Bi3 O10 80.2(8) . . ? 
T1 Bi3 O10 126.8(11) 9_666 . ? 
O7A Bi3 O10 102.2(11) 7_556 . ? 
O3 Bi3 O10 124.9(10) 9_766 . ? 
O7A Bi3 O10 74.5(6) 4_565 . ? 
O8 Bi3 O10 107.1(12) 1_556 . ? 
X3 Bi3 O6 9(2) . 1_556 ? 
O11 Bi3 O6 125.5(7) 9_766 1_556 ? 
O7B Bi3 O6 129.6(13) . 1_556 ? 
O7B Bi3 O6 144.6(12) 7_556 1_556 ? 
O7A Bi3 O6 122.5(10) . 1_556 ? 
T1 Bi3 O6 166.9(8) 9_666 1_556 ? 
O7A Bi3 O6 137.9(10) 7_556 1_556 ? 
O3 Bi3 O6 72.6(6) 9_766 1_556 ? 
O7A Bi3 O6 67.9(7) 4_565 1_556 ? 
O8 Bi3 O6 65.7(5) 1_556 1_556 ? 
O10 Bi3 O6 61.2(9) . 1_556 ? 
X3 Bi3 Cl 60(3) . . ? 
O11 Bi3 Cl 159.1(8) 9_766 . ? 
O7B Bi3 Cl 84.9(11) . . ? 
O7B Bi3 Cl 99.0(11) 7_556 . ? 
O7A Bi3 Cl 77.9(7) . . ? 
T1 Bi3 Cl 119.8(10) 9_666 . ? 
O7A Bi3 Cl 93.1(9) 7_556 . ? 
O3 Bi3 Cl 127.9(9) 9_766 . ? 
O7A Bi3 Cl 72.6(6) 4_565 . ? 
O8 Bi3 Cl 115.9(10) 1_556 . ? 
O10 Bi3 Cl 9.3(5) . . ? 
O6 Bi3 Cl 69.3(8) 1_556 . ? 
X3 Bi3 O7B 70(3) . 4_565 ? 
O11 Bi3 O7B 124.2(7) 9_766 4_565 ? 
O7B Bi3 O7B 143.6(9) . 4_565 ? 
O7B Bi3 O7B 75.7(10) 7_556 4_565 ? 
O7A Bi3 O7B 141.7(7) . 4_565 ? 
T1 Bi3 O7B 121.5(8) 9_666 4_565 ? 
O7A Bi3 O7B 69.3(6) 7_556 4_565 ? 
O3 Bi3 O7B 60.7(4) 9_766 4_565 ? 
O7A Bi3 O7B 1.2(5) 4_565 4_565 ? 
O8 Bi3 O7B 124.8(8) 1_556 4_565 ? 
O10 Bi3 O7B 75.3(6) . 4_565 ? 
O6 Bi3 O7B 69.0(6) 1_556 4_565 ? 
Cl Bi3 O7B 73.2(6) . 4_565 ? 
X3 Bi3 O6 53(2) . 3_656 ? 
O11 Bi3 O6 108.3(5) 9_766 3_656 ? 
O7B Bi3 O6 72.8(10) . 3_656 ? 
O7B Bi3 O6 149.0(7) 7_556 3_656 ? 
O7A Bi3 O6 66.4(7) . 3_656 ? 
T1 Bi3 O6 116.0(6) 9_666 3_656 ? 
O7A Bi3 O6 148.8(6) 7_556 3_656 ? 
O3 Bi3 O6 118.8(8) 9_766 3_656 ? 
O7A Bi3 O6 119.0(10) 4_565 3_656 ? 
O8 Bi3 O6 52.9(3) 1_556 3_656 ? 
O10 Bi3 O6 57.5(8) . 3_656 ? 
O6 Bi3 O6 57.3(5) 1_556 3_656 ? 
Cl Bi3 O6 65.1(6) . 3_656 ? 
O7B Bi3 O6 120.1(10) 4_565 3_656 ? 
Y1MN X4 O6 65.63(18) . 4_565 ? 
Y1MN X4 O6 65.63(18) . 2_665 ? 
O6 X4 O6 80.20(14) 4_565 2_665 ? 
Y1MN X4 O6 65.63(18) . 3_655 ? 
O6 X4 O6 131.3(4) 4_565 3_655 ? 
O6 X4 O6 80.20(14) 2_665 3_655 ? 
Y1MN X4 O6 65.63(18) . . ? 
O6 X4 O6 80.20(14) 4_565 . ? 
O6 X4 O6 131.3(4) 2_665 . ? 
O6 X4 O6 80.20(14) 3_655 . ? 
Y1MN X4 O9 120.13(14) . . ? 
O6 X4 O9 148.79(11) 4_565 . ? 
O6 X4 O9 130.92(10) 2_665 . ? 
O6 X4 O9 63.83(10) 3_655 . ? 
O6 X4 O9 76.07(10) . . ? 
Y1MN X4 O9 120.13(13) . 2_665 ? 
O6 X4 O9 63.83(10) 4_565 2_665 ? 
O6 X4 O9 76.07(10) 2_665 2_665 ? 
O6 X4 O9 148.79(11) 3_655 2_665 ? 
O6 X4 O9 130.92(10) . 2_665 ? 
O9 X4 O9 119.7(3) . 2_665 ? 
Y1MN X4 O9 120.13(14) . 4_565 ? 
O6 X4 O9 76.07(10) 4_565 4_565 ? 
O6 X4 O9 148.79(11) 2_665 4_565 ? 
O6 X4 O9 130.92(10) 3_655 4_565 ? 
O6 X4 O9 63.83(10) . 4_565 ? 
O9 X4 O9 75.41(12) . 4_565 ? 
O9 X4 O9 75.41(12) 2_665 4_565 ? 
Y1MN X4 O9 120.13(13) . 3_655 ? 
O6 X4 O9 130.92(10) 4_565 3_655 ? 
O6 X4 O9 63.83(10) 2_665 3_655 ? 
O6 X4 O9 76.07(10) 3_655 3_655 ? 
O6 X4 O9 148.79(11) . 3_655 ? 
O9 X4 O9 75.41(12) . 3_655 ? 
O9 X4 O9 75.41(12) 2_665 3_655 ? 
O9 X4 O9 119.7(3) 4_565 3_655 ? 
Y1MN X4 X4 180.000(1) . 5_655 ? 
O6 X4 X4 114.37(18) 4_565 5_655 ? 
O6 X4 X4 114.37(18) 2_665 5_655 ? 
O6 X4 X4 114.37(18) 3_655 5_655 ? 
O6 X4 X4 114.37(18) . 5_655 ? 
O9 X4 X4 59.87(13) . 5_655 ? 
O9 X4 X4 59.87(13) 2_665 5_655 ? 
O9 X4 X4 59.87(13) 4_565 5_655 ? 
O9 X4 X4 59.87(13) 3_655 5_655 ? 
Y1MN X4 O10 0.000(7) . 1_554 ? 
O6 X4 O10 65.63(18) 4_565 1_554 ? 
O6 X4 O10 65.63(18) 2_665 1_554 ? 
O6 X4 O10 65.63(18) 3_655 1_554 ? 
O6 X4 O10 65.63(18) . 1_554 ? 
O9 X4 O10 120.13(13) . 1_554 ? 
O9 X4 O10 120.13(14) 2_665 1_554 ? 
O9 X4 O10 120.13(13) 4_565 1_554 ? 
O9 X4 O10 120.13(13) 3_655 1_554 ? 
X4 X4 O10 180.000(7) 5_655 1_554 ? 
Y1MN X4 Z3 89.78(13) . 8_665 ? 
O6 X4 Z3 31.27(9) 4_565 8_665 ? 
O6 X4 Z3 71.30(10) 2_665 8_665 ? 
O6 X4 Z3 148.4(2) 3_655 8_665 ? 
O6 X4 Z3 108.51(12) . 8_665 ? 
O9 X4 Z3 147.2(2) . 8_665 ? 
O9 X4 Z3 33.20(5) 2_665 8_665 ? 
O9 X4 Z3 77.91(6) 4_565 8_665 ? 
O9 X4 Z3 102.31(9) 3_655 8_665 ? 
X4 X4 Z3 90.22(13) 5_655 8_665 ? 
O10 X4 Z3 89.78(13) 1_554 8_665 ? 
X4 Y1MN O10 180.000(13) . 1_554 ? 
X4 Y1MN O6 89.57(19) . 4_565 ? 
O10 Y1MN O6 90.43(19) 1_554 4_565 ? 
X4 Y1MN O6 89.57(19) . 3_655 ? 
O10 Y1MN O6 90.43(19) 1_554 3_655 ? 
O6 Y1MN O6 179.1(4) 4_565 3_655 ? 
X4 Y1MN O6 89.57(19) . 2_665 ? 
O10 Y1MN O6 90.43(19) 1_554 2_665 ? 
O6 Y1MN O6 89.997(3) 4_565 2_665 ? 
O6 Y1MN O6 89.997(3) 3_655 2_665 ? 
X4 Y1MN O6 89.57(19) . . ? 
O10 Y1MN O6 90.43(19) 1_554 . ? 
O6 Y1MN O6 89.996(3) 4_565 . ? 
O6 Y1MN O6 89.998(3) 3_655 . ? 
O6 Y1MN O6 179.1(4) 2_665 . ? 
X4 Y1MN Cl 180.000(7) . 1_554 ? 
O10 Y1MN Cl 0.000(4) 1_554 1_554 ? 
O6 Y1MN Cl 90.43(19) 4_565 1_554 ? 
O6 Y1MN Cl 90.43(19) 3_655 1_554 ? 
O6 Y1MN Cl 90.43(19) 2_665 1_554 ? 
O6 Y1MN Cl 90.43(19) . 1_554 ? 
X4 Y1MN X3 126.32(16) . 2_664 ? 
O10 Y1MN X3 53.68(16) 1_554 2_664 ? 
O6 Y1MN X3 62.61(17) 4_565 2_664 ? 
O6 Y1MN X3 118.0(2) 3_655 2_664 ? 
O6 Y1MN X3 49.2(2) 2_665 2_664 ? 
O6 Y1MN X3 131.5(3) . 2_664 ? 
Cl Y1MN X3 53.68(16) 1_554 2_664 ? 
X4 Y1MN X3 126.32(16) . 4_564 ? 
O10 Y1MN X3 53.68(16) 1_554 4_564 ? 
O6 Y1MN X3 49.2(2) 4_565 4_564 ? 
O6 Y1MN X3 131.5(3) 3_655 4_564 ? 
O6 Y1MN X3 118.0(2) 2_665 4_564 ? 
O6 Y1MN X3 62.61(17) . 4_564 ? 
Cl Y1MN X3 53.68(16) 1_554 4_564 ? 
X3 Y1MN X3 69.47(16) 2_664 4_564 ? 
X4 Y1MN X3 126.32(16) . 1_554 ? 
O10 Y1MN X3 53.68(16) 1_554 1_554 ? 
O6 Y1MN X3 118.0(2) 4_565 1_554 ? 
O6 Y1MN X3 62.61(17) 3_655 1_554 ? 
O6 Y1MN X3 131.5(3) 2_665 1_554 ? 
O6 Y1MN X3 49.2(2) . 1_554 ? 
Cl Y1MN X3 53.68(16) 1_554 1_554 ? 
X3 Y1MN X3 107.4(3) 2_664 1_554 ? 
X3 Y1MN X3 69.47(16) 4_564 1_554 ? 
X4 Y1MN X3 126.32(16) . 3_654 ? 
O10 Y1MN X3 53.68(16) 1_554 3_654 ? 
O6 Y1MN X3 131.5(3) 4_565 3_654 ? 
O6 Y1MN X3 49.2(2) 3_655 3_654 ? 
O6 Y1MN X3 62.61(17) 2_665 3_654 ? 
O6 Y1MN X3 118.0(2) . 3_654 ? 
Cl Y1MN X3 53.68(16) 1_554 3_654 ? 
X3 Y1MN X3 69.47(16) 2_664 3_654 ? 
X3 Y1MN X3 107.4(3) 4_564 3_654 ? 
X3 Y1MN X3 69.47(16) 1_554 3_654 ? 
X4 Y1MN Bi3 128.0(2) . 2_664 ? 
O10 Y1MN Bi3 52.0(2) 1_554 2_664 ? 
O6 Y1MN Bi3 60.8(3) 4_565 2_664 ? 
O6 Y1MN Bi3 119.8(3) 3_655 2_664 ? 
O6 Y1MN Bi3 52.3(3) 2_665 2_664 ? 
O6 Y1MN Bi3 128.3(3) . 2_664 ? 
Cl Y1MN Bi3 52.0(2) 1_554 2_664 ? 
X3 Y1MN Bi3 3.2(3) 2_664 2_664 ? 
X3 Y1MN Bi3 66.3(3) 4_564 2_664 ? 
X3 Y1MN Bi3 105.7(2) 1_554 2_664 ? 
X3 Y1MN Bi3 71.0(3) 3_654 2_664 ? 
O11 Y2 O11 180.0(3) 9_655 1_455 ? 
O11 Y2 O8 90.24(14) 9_655 9_665 ? 
O11 Y2 O8 89.76(14) 1_455 9_665 ? 
O11 Y2 O8 89.76(14) 9_655 1_445 ? 
O11 Y2 O8 90.24(14) 1_455 1_445 ? 
O8 Y2 O8 180.0(3) 9_665 1_445 ? 
O11 Y2 O4 96.44(14) 9_655 15_565 ? 
O11 Y2 O4 83.56(14) 1_455 15_565 ? 
O8 Y2 O4 88.52(14) 9_665 15_565 ? 
O8 Y2 O4 91.48(14) 1_445 15_565 ? 
O11 Y2 O4 83.56(14) 9_655 7_545 ? 
O11 Y2 O4 96.44(14) 1_455 7_545 ? 
O8 Y2 O4 91.48(14) 9_665 7_545 ? 
O8 Y2 O4 88.52(14) 1_445 7_545 ? 
O4 Y2 O4 180.0(3) 15_565 7_545 ? 
O11 Y2 Y3MN 39.76(10) 9_655 9_655 ? 
O11 Y2 Y3MN 140.24(10) 1_455 9_655 ? 
O8 Y2 Y3MN 88.29(10) 9_665 9_655 ? 
O8 Y2 Y3MN 91.71(10) 1_445 9_655 ? 
O4 Y2 Y3MN 136.04(10) 15_565 9_655 ? 
O4 Y2 Y3MN 43.96(10) 7_545 9_655 ? 
O11 Y2 Y3AL 140.24(10) 9_655 1_455 ? 
O11 Y2 Y3AL 39.76(10) 1_455 1_455 ? 
O8 Y2 Y3AL 91.71(10) 9_665 1_455 ? 
O8 Y2 Y3AL 88.29(10) 1_445 1_455 ? 
O4 Y2 Y3AL 43.96(10) 15_565 1_455 ? 
O4 Y2 Y3AL 136.04(10) 7_545 1_455 ? 
Y3MN Y2 Y3AL 180.00(8) 9_655 1_455 ? 
O11 Y2 Y3AL 39.76(10) 9_655 9_655 ? 
O11 Y2 Y3AL 140.24(10) 1_455 9_655 ? 
O8 Y2 Y3AL 88.29(10) 9_665 9_655 ? 
O8 Y2 Y3AL 91.71(10) 1_445 9_655 ? 
O4 Y2 Y3AL 136.04(10) 15_565 9_655 ? 
O4 Y2 Y3AL 43.96(10) 7_545 9_655 ? 
Y3MN Y2 Y3AL 0.00(8) 9_655 9_655 ? 
Y3AL Y2 Y3AL 180.00(7) 1_455 9_655 ? 
O11 Y2 Y3MN 140.24(10) 9_655 1_455 ? 
O11 Y2 Y3MN 39.76(10) 1_455 1_455 ? 
O8 Y2 Y3MN 91.71(10) 9_665 1_455 ? 
O8 Y2 Y3MN 88.29(10) 1_445 1_455 ? 
O4 Y2 Y3MN 43.96(10) 15_565 1_455 ? 
O4 Y2 Y3MN 136.04(10) 7_545 1_455 ? 
Y3MN Y2 Y3MN 180.00(8) 9_655 1_455 ? 
Y3AL Y2 Y3MN 0.00(7) 1_455 1_455 ? 
Y3AL Y2 Y3MN 180.00(8) 9_655 1_455 ? 
O11 Y2 Bi3 38.1(4) 9_655 1_444 ? 
O11 Y2 Bi3 141.9(4) 1_455 1_444 ? 
O8 Y2 Bi3 126.6(5) 9_665 1_444 ? 
O8 Y2 Bi3 53.4(5) 1_445 1_444 ? 
O4 Y2 Bi3 86.1(2) 15_565 1_444 ? 
O4 Y2 Bi3 93.9(2) 7_545 1_444 ? 
Y3MN Y2 Bi3 61.6(3) 9_655 1_444 ? 
Y3AL Y2 Bi3 118.4(3) 1_455 1_444 ? 
Y3AL Y2 Bi3 61.6(3) 9_655 1_444 ? 
Y3MN Y2 Bi3 118.4(3) 1_455 1_444 ? 
O11 Y2 Bi3 141.9(4) 9_655 9_666 ? 
O11 Y2 Bi3 38.1(4) 1_455 9_666 ? 
O8 Y2 Bi3 53.4(5) 9_665 9_666 ? 
O8 Y2 Bi3 126.6(5) 1_445 9_666 ? 
O4 Y2 Bi3 93.9(2) 15_565 9_666 ? 
O4 Y2 Bi3 86.1(2) 7_545 9_666 ? 
Y3MN Y2 Bi3 118.4(3) 9_655 9_666 ? 
Y3AL Y2 Bi3 61.6(3) 1_455 9_666 ? 
Y3AL Y2 Bi3 118.4(3) 9_655 9_666 ? 
Y3MN Y2 Bi3 61.6(3) 1_455 9_666 ? 
Bi3 Y2 Bi3 180.0(5) 1_444 9_666 ? 
O2 Y3AL O1 93.19(16) . . ? 
O2 Y3AL O11 97.84(15) . . ? 
O1 Y3AL O11 168.96(17) . . ? 
O2 Y3AL O3 92.52(16) . . ? 
O1 Y3AL O3 91.97(15) . . ? 
O11 Y3AL O3 87.12(15) . . ? 
O2 Y3AL O5 87.35(16) . . ? 
O1 Y3AL O5 91.86(15) . . ? 
O11 Y3AL O5 89.11(14) . . ? 
O3 Y3AL O5 176.17(15) . . ? 
O2 Y3AL O4 172.34(16) . 15_665 ? 
O1 Y3AL O4 90.75(15) . 15_665 ? 
O11 Y3AL O4 78.35(14) . 15_665 ? 
O3 Y3AL O4 93.91(15) . 15_665 ? 
O5 Y3AL O4 85.96(14) . 15_665 ? 
O2 Y3AL Y2 134.91(12) . 1_655 ? 
O1 Y3AL Y2 131.22(13) . 1_655 ? 
O11 Y3AL Y2 37.98(10) . 1_655 ? 
O3 Y3AL Y2 93.12(11) . 1_655 ? 
O5 Y3AL Y2 84.29(11) . 1_655 ? 
O4 Y3AL Y2 40.52(10) 15_665 1_655 ? 
O2 Y3AL Bi3 87.6(3) . 9_766 ? 
O1 Y3AL Bi3 140.0(4) . 9_766 ? 
O11 Y3AL Bi3 40.8(4) . 9_766 ? 
O3 Y3AL Bi3 48.1(4) . 9_766 ? 
O5 Y3AL Bi3 128.1(4) . 9_766 ? 
O4 Y3AL Bi3 93.6(3) 15_665 9_766 ? 
Y2 Y3AL Bi3 64.3(2) 1_655 9_766 ? 
O2 Y3AL X2CA 138.45(12) . 15_665 ? 
O1 Y3AL X2CA 85.18(12) . 15_665 ? 
O11 Y3AL X2CA 86.26(11) . 15_665 ? 
O3 Y3AL X2CA 46.20(11) . 15_665 ? 
O5 Y3AL X2CA 134.17(12) . 15_665 ? 
O4 Y3AL X2CA 48.47(10) 15_665 15_665 ? 
Y2 Y3AL X2CA 64.85(3) 1_655 15_665 ? 
Bi3 Y3AL X2CA 68.8(4) 9_766 15_665 ? 
O2 Y3AL X1CA 49.52(10) . . ? 
O1 Y3AL X1CA 44.03(11) . . ? 
O11 Y3AL X1CA 146.83(12) . . ? 
O3 Y3AL X1CA 88.53(11) . . ? 
O5 Y3AL X1CA 94.28(11) . . ? 
O4 Y3AL X1CA 134.78(11) 15_665 . ? 
Y2 Y3AL X1CA 175.10(5) 1_655 . ? 
Bi3 Y3AL X1CA 119.9(3) 9_766 . ? 
X2CA Y3AL X1CA 113.54(4) 15_665 . ? 
O2 Y3AL X2CA 94.94(12) . 5_655 ? 
O1 Y3AL X2CA 48.04(10) . 5_655 ? 
O11 Y3AL X2CA 130.74(11) . 5_655 ? 
O3 Y3AL X2CA 139.59(11) . 5_655 ? 
O5 Y3AL X2CA 44.20(10) . 5_655 ? 
O4 Y3AL X2CA 82.83(10) 15_665 5_655 ? 
Y2 Y3AL X2CA 108.76(5) 1_655 5_655 ? 
Bi3 Y3AL X2CA 171.5(4) 9_766 5_655 ? 
X2CA Y3AL X2CA 113.49(5) 15_665 5_655 ? 
X1CA Y3AL X2CA 67.29(3) . 5_655 ? 
O2 Y3AL X3 91.20(19) . 9_766 ? 
O1 Y3AL X3 134.7(2) . 9_766 ? 
O11 Y3AL X3 44.97(18) . 9_766 ? 
O3 Y3AL X3 42.8(2) . 9_766 ? 
O5 Y3AL X3 133.4(2) . 9_766 ? 
O4 Y3AL X3 90.69(17) 15_665 9_766 ? 
Y2 Y3AL X3 64.56(10) 1_655 9_766 ? 
Bi3 Y3AL X3 6.2(3) 9_766 9_766 ? 
X2CA Y3AL X3 63.0(2) 15_665 9_766 ? 
X1CA Y3AL X3 119.29(11) . 9_766 ? 
X2CA Y3AL X3 173.15(12) 5_655 9_766 ? 
O1 Z1 O1 112.20(13) 3 10_565 ? 
O1 Z1 O1 104.1(2) 3 4_565 ? 
O1 Z1 O1 112.20(13) 10_565 4_565 ? 
O1 Z1 O1 112.20(13) 3 9_665 ? 
O1 Z1 O1 104.1(2) 10_565 9_665 ? 
O1 Z1 O1 112.20(13) 4_565 9_665 ? 
O1 Z1 X1MN 127.93(12) 3 9_665 ? 
O1 Z1 X1MN 52.07(12) 10_565 9_665 ? 
O1 Z1 X1MN 127.93(12) 4_565 9_665 ? 
O1 Z1 X1MN 52.07(12) 9_665 9_665 ? 
O1 Z1 X1CA 127.93(12) 3 9_665 ? 
O1 Z1 X1CA 52.07(12) 10_565 9_665 ? 
O1 Z1 X1CA 127.93(12) 4_565 9_665 ? 
O1 Z1 X1CA 52.07(12) 9_665 9_665 ? 
X1MN Z1 X1CA 0.0 9_665 9_665 ? 
O1 Z1 X1CA 52.07(12) 3 3 ? 
O1 Z1 X1CA 127.93(12) 10_565 3 ? 
O1 Z1 X1CA 52.07(12) 4_565 3 ? 
O1 Z1 X1CA 127.93(12) 9_665 3 ? 
X1MN Z1 X1CA 180.0 9_665 3 ? 
X1CA Z1 X1CA 180.0 9_665 3 ? 
O1 Z1 X1MN 52.07(12) 3 3 ? 
O1 Z1 X1MN 127.93(12) 10_565 3 ? 
O1 Z1 X1MN 52.07(12) 4_565 3 ? 
O1 Z1 X1MN 127.93(12) 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 133.22(12) 3 14_665 ? 
O1 Z1 X2CA 35.26(12) 10_565 14_665 ? 
O1 Z1 X2CA 78.46(12) 4_565 14_665 ? 
O1 Z1 X2CA 109.38(12) 9_665 14_665 ? 
X1MN Z1 X2CA 66.777(18) 9_665 14_665 ? 
X1CA Z1 X2CA 66.777(18) 9_665 14_665 ? 
X1CA Z1 X2CA 113.223(18) 3 14_665 ? 
X1MN Z1 X2CA 113.223(18) 3 14_665 ? 
O1 Z1 X2CA 35.26(12) 3 8_565 ? 
O1 Z1 X2CA 78.46(12) 10_565 8_565 ? 
O1 Z1 X2CA 109.38(12) 4_565 8_565 ? 
O1 Z1 X2CA 133.22(12) 9_665 8_565 ? 
X1MN Z1 X2CA 113.223(18) 9_665 8_565 ? 
X1CA Z1 X2CA 113.223(18) 9_665 8_565 ? 
X1CA Z1 X2CA 66.777(18) 3 8_565 ? 
X1MN Z1 X2CA 66.777(18) 3 8_565 ? 
X2CA Z1 X2CA 98.945(13) 14_665 8_565 ? 
O1 Z1 X2CA 78.46(12) 3 13_565 ? 
O1 Z1 X2CA 109.38(12) 10_565 13_565 ? 
O1 Z1 X2CA 133.22(12) 4_565 13_565 ? 
O1 Z1 X2CA 35.26(12) 9_665 13_565 ? 
X1MN Z1 X2CA 66.777(18) 9_665 13_565 ? 
X1CA Z1 X2CA 66.777(18) 9_665 13_565 ? 
X1CA Z1 X2CA 113.223(18) 3 13_565 ? 
X1MN Z1 X2CA 113.223(18) 3 13_565 ? 
X2CA Z1 X2CA 133.55(4) 14_665 13_565 ? 
X2CA Z1 X2CA 98.945(13) 8_565 13_565 ? 
O1 Z1 X2CA 109.38(12) 3 7 ? 
O1 Z1 X2CA 133.22(12) 10_565 7 ? 
O1 Z1 X2CA 35.26(12) 4_565 7 ? 
O1 Z1 X2CA 78.46(12) 9_665 7 ? 
X1MN Z1 X2CA 113.223(18) 9_665 7 ? 
X1CA Z1 X2CA 113.223(18) 9_665 7 ? 
X1CA Z1 X2CA 66.777(18) 3 7 ? 
X1MN Z1 X2CA 66.777(18) 3 7 ? 
X2CA Z1 X2CA 98.945(13) 14_665 7 ? 
X2CA Z1 X2CA 133.55(4) 8_565 7 ? 
X2CA Z1 X2CA 98.945(13) 13_565 7 ? 
O7B Z2 O2 109.5(11) 1_545 15_666 ? 
O7B Z2 O7A 11.0(8) 1_545 1_545 ? 
O2 Z2 O7A 116.7(7) 15_666 1_545 ? 
O7B Z2 O3 112.6(15) 1_545 11_666 ? 
O2 Z2 O3 113.06(19) 15_666 11_666 ? 
O7A Z2 O3 101.7(10) 1_545 11_666 ? 
O7B Z2 O4 108.6(8) 1_545 15_666 ? 
O2 Z2 O4 100.73(18) 15_666 15_666 ? 
O7A Z2 O4 113.4(5) 1_545 15_666 ? 
O3 Z2 O4 111.60(19) 11_666 15_666 ? 
O7B Z2 T1 35.1(16) 1_545 9_656 ? 
O2 Z2 T1 86.2(5) 15_666 9_656 ? 
O7A Z2 T1 46.1(12) 1_545 9_656 ? 
O3 Z2 T1 147.7(7) 11_666 9_656 ? 
O4 Z2 T1 88.3(5) 15_666 9_656 ? 
O7B Z2 X3 63.8(15) 1_545 3_645 ? 
O2 Z2 X3 134.7(3) 15_666 3_645 ? 
O7A Z2 X3 52.8(10) 1_545 3_645 ? 
O3 Z2 X3 49.08(17) 11_666 3_645 ? 
O4 Z2 X3 124.3(3) 15_666 3_645 ? 
T1 Z2 X3 98.9(7) 9_656 3_645 ? 
O7B Z2 X2CA 122.2(15) 1_545 15_666 ? 
O2 Z2 X2CA 49.37(12) 15_666 15_666 ? 
O7A Z2 X2CA 133.0(10) 1_545 15_666 ? 
O3 Z2 X2CA 125.20(14) 11_666 15_666 ? 
O4 Z2 X2CA 51.38(12) 15_666 15_666 ? 
T1 Z2 X2CA 87.1(7) 9_656 15_666 ? 
X3 Z2 X2CA 172.78(17) 3_645 15_666 ? 
O7B Z2 Bi3 65.3(15) 1_545 3_645 ? 
O2 Z2 Bi3 127.5(5) 15_666 3_645 ? 
O7A Z2 Bi3 54.5(10) 1_545 3_645 ? 
O3 Z2 Bi3 47.5(3) 11_666 3_645 ? 
O4 Z2 Bi3 131.2(5) 15_666 3_645 ? 
T1 Z2 Bi3 100.3(8) 9_656 3_645 ? 
X3 Z2 Bi3 7.3(3) 3_645 3_645 ? 
X2CA Z2 Bi3 172.1(4) 15_666 3_645 ? 
O7B Z2 Bi3 29.0(7) 1_545 7_546 ? 
O2 Z2 Bi3 83.6(3) 15_666 7_546 ? 
O7A Z2 Bi3 33.4(6) 1_545 7_546 ? 
O3 Z2 Bi3 113.8(4) 11_666 7_546 ? 
O4 Z2 Bi3 128.1(4) 15_666 7_546 ? 
T1 Z2 Bi3 40.0(6) 9_656 7_546 ? 
X3 Z2 Bi3 73.24(18) 3_645 7_546 ? 
X2CA Z2 Bi3 114.0(3) 15_666 7_546 ? 
Bi3 Z2 Bi3 71.0(5) 3_645 7_546 ? 
O7B Z2 Bi3 27.0(6) 1_545 1_545 ? 
O2 Z2 Bi3 126.1(4) 15_666 1_545 ? 
O7A Z2 Bi3 29.6(5) 1_545 1_545 ? 
O3 Z2 Bi3 114.6(4) 11_666 1_545 ? 
O4 Z2 Bi3 83.8(3) 15_666 1_545 ? 
T1 Z2 Bi3 39.9(6) 9_656 1_545 ? 
X3 Z2 Bi3 69.3(5) 3_645 1_545 ? 
X2CA Z2 Bi3 113.9(3) 15_666 1_545 ? 
Bi3 Z2 Bi3 74.0(7) 3_645 1_545 ? 
Bi3 Z2 Bi3 55.2(5) 7_546 1_545 ? 
O7B Z2 X2CA 118.6(13) 1_545 5_656 ? 
O2 Z2 X2CA 129.04(13) 15_666 5_656 ? 
O7A Z2 X2CA 108.9(9) 1_545 5_656 ? 
O3 Z2 X2CA 32.74(13) 11_666 5_656 ? 
O4 Z2 X2CA 79.78(13) 15_666 5_656 ? 
T1 Z2 X2CA 144.2(4) 9_656 5_656 ? 
X3 Z2 X2CA 62.60(15) 3_645 5_656 ? 
X2CA Z2 X2CA 110.19(5) 15_666 5_656 ? 
Bi3 Z2 X2CA 65.4(3) 3_645 5_656 ? 
Bi3 Z2 X2CA 135.8(3) 7_546 5_656 ? 
Bi3 Z2 X2CA 104.7(4) 1_545 5_656 ? 
O6 Z3 O5 111.4(2) 6_565 7_655 ? 
O6 Z3 O8 109.2(2) 6_565 7 ? 
O5 Z3 O8 113.71(19) 7_655 7 ? 
O6 Z3 O9 106.6(2) 6_565 . ? 
O5 Z3 O9 107.21(16) 7_655 . ? 
O8 Z3 O9 108.41(16) 7 . ? 
O6 Z3 X4 46.82(17) 6_565 5_655 ? 
O5 Z3 X4 133.70(15) 7_655 5_655 ? 
O8 Z3 X4 112.36(15) 7 5_655 ? 
O9 Z3 X4 61.13(19) . 5_655 ? 
O6 Z3 X2CA 67.77(15) 6_565 4_665 ? 
O5 Z3 X2CA 43.83(13) 7_655 4_665 ? 
O8 Z3 X2CA 134.03(14) 7 4_665 ? 
O9 Z3 X2CA 116.42(8) . 4_665 ? 
X4 Z3 X2CA 98.04(4) 5_655 4_665 ? 
O6 Z3 X3 61.95(18) 6_565 7_556 ? 
O5 Z3 X3 137.5(3) 7_655 7_556 ? 
O8 Z3 X3 47.76(17) 7 7_556 ? 
O9 Z3 X3 114.9(2) . 7_556 ? 
X4 Z3 X3 75.2(2) 5_655 7_556 ? 
X2CA Z3 X3 115.32(14) 4_665 7_556 ? 
O6 Z3 X2CA 116.68(15) 6_565 1_565 ? 
O5 Z3 X2CA 129.26(14) 7_655 1_565 ? 
O8 Z3 X2CA 34.60(12) 7 1_565 ? 
O9 Z3 X2CA 74.01(8) . 1_565 ? 
X4 Z3 X2CA 92.55(4) 5_655 1_565 ? 
X2CA Z3 X2CA 167.85(6) 4_665 1_565 ? 
X3 Z3 X2CA 61.73(12) 7_556 1_565 ? 
O6 Z3 Bi3 63.9(3) 6_565 7_556 ? 
O5 Z3 Bi3 131.7(4) 7_655 7_556 ? 
O8 Z3 Bi3 45.3(3) 7 7_556 ? 
O9 Z3 Bi3 120.4(4) . 7_556 ? 
X4 Z3 Bi3 80.7(4) 5_655 7_556 ? 
X2CA Z3 Bi3 112.6(3) 4_665 7_556 ? 
X3 Z3 Bi3 6.0(3) 7_556 7_556 ? 
X2CA Z3 Bi3 63.2(2) 1_565 7_556 ? 
O6 Z3 X2CA 122.67(15) 6_565 7_655 ? 
O5 Z3 X2CA 35.45(13) 7_655 7_655 ? 
O8 Z3 X2CA 126.01(14) 7 7_655 ? 
O9 Z3 X2CA 71.76(8) . 7_655 ? 
X4 Z3 X2CA 113.37(12) 5_655 7_655 ? 
X2CA Z3 X2CA 63.63(4) 4_665 7_655 ? 
X3 Z3 X2CA 171.3(2) 7_556 7_655 ? 
X2CA Z3 X2CA 117.30(5) 1_565 7_655 ? 
Bi3 Z3 X2CA 165.5(4) 7_556 7_655 ? 
O6 Z3 X3 20.01(18) 6_565 6_566 ? 
O5 Z3 X3 98.39(17) 7_655 6_566 ? 
O8 Z3 X3 102.92(16) 7 6_566 ? 
O9 Z3 X3 126.13(19) . 6_566 ? 
X4 Z3 X3 66.81(15) 5_655 6_566 ? 
X2CA Z3 X3 57.86(10) 4_665 6_566 ? 
X3 Z3 X3 60.97(17) 7_556 6_566 ? 
X2CA Z3 X3 122.26(10) 1_565 6_566 ? 
Bi3 Z3 X3 60.60(19) 7_556 6_566 ? 
X2CA Z3 X3 120.41(10) 7_655 6_566 ? 
O6 Z3 Bi3 22.0(2) 6_565 6_566 ? 
O5 Z3 Bi3 96.6(3) 7_655 6_566 ? 
O8 Z3 Bi3 102.9(2) 7 6_566 ? 
O9 Z3 Bi3 127.8(3) . 6_566 ? 
X4 Z3 Bi3 68.8(2) 5_655 6_566 ? 
X2CA Z3 Bi3 56.4(2) 4_665 6_566 ? 
X3 Z3 Bi3 61.75(16) 7_556 6_566 ? 
X2CA Z3 Bi3 123.3(2) 1_565 6_566 ? 
Bi3 Z3 Bi3 61.2(4) 7_556 6_566 ? 
X2CA Z3 Bi3 119.3(2) 7_655 6_566 ? 
X3 Z3 Bi3 2.1(3) 6_566 6_566 ? 
O11 T1 O11 137(2) 1_455 7_545 ? 
O11 T1 O7B 105.7(7) 1_455 15_665 ? 
O11 T1 O7B 100.2(6) 7_545 15_665 ? 
O11 T1 O7B 100.2(6) 1_455 9_666 ? 
O11 T1 O7B 105.7(7) 7_545 9_666 ? 
O7B T1 O7B 104(2) 15_665 9_666 ? 
O11 T1 O7A 107.1(6) 1_455 15_665 ? 
O11 T1 O7A 100.3(6) 7_545 15_665 ? 
O7B T1 O7A 2.8(7) 15_665 15_665 ? 
O7B T1 O7A 101.6(18) 9_666 15_665 ? 
O11 T1 O7A 100.3(6) 1_455 9_666 ? 
O11 T1 O7A 107.1(6) 7_545 9_666 ? 
O7B T1 O7A 101.6(18) 15_665 9_666 ? 
O7B T1 O7A 2.8(7) 9_666 9_666 ? 
O7A T1 O7A 98.8(16) 15_665 9_666 ? 
O11 T1 Bi3 157.2(18) 1_455 15_665 ? 
O11 T1 Bi3 65.4(6) 7_545 15_665 ? 
O7B T1 Bi3 64.1(11) 15_665 15_665 ? 
O7B T1 Bi3 65.4(11) 9_666 15_665 ? 
O7A T1 Bi3 61.8(9) 15_665 15_665 ? 
O7A T1 Bi3 64.4(9) 9_666 15_665 ? 
O11 T1 Bi3 65.4(6) 1_455 9_666 ? 
O11 T1 Bi3 157.2(18) 7_545 9_666 ? 
O7B T1 Bi3 65.4(11) 15_665 9_666 ? 
O7B T1 Bi3 64.1(11) 9_666 9_666 ? 
O7A T1 Bi3 64.4(9) 15_665 9_666 ? 
O7A T1 Bi3 61.8(9) 9_666 9_666 ? 
Bi3 T1 Bi3 91.9(15) 15_665 9_666 ? 
O11 T1 X3 157.6(17) 1_455 15_665 ? 
O11 T1 X3 65.1(6) 7_545 15_665 ? 
O7B T1 X3 62.7(10) 15_665 15_665 ? 
O7B T1 X3 67.0(10) 9_666 15_665 ? 
O7A T1 X3 60.5(7) 15_665 15_665 ? 
O7A T1 X3 66.0(8) 9_666 15_665 ? 
Bi3 T1 X3 1.7(5) 15_665 15_665 ? 
Bi3 T1 X3 92.2(12) 9_666 15_665 ? 
O11 T1 X3 65.1(6) 1_455 9_666 ? 
O11 T1 X3 157.6(17) 7_545 9_666 ? 
O7B T1 X3 67.0(10) 15_665 9_666 ? 
O7B T1 X3 62.7(10) 9_666 9_666 ? 
O7A T1 X3 66.0(8) 15_665 9_666 ? 
O7A T1 X3 60.5(7) 9_666 9_666 ? 
Bi3 T1 X3 92.2(12) 15_665 9_666 ? 
Bi3 T1 X3 1.7(5) 9_666 9_666 ? 
X3 T1 X3 92.5(11) 15_665 9_666 ? 
O11 T1 Z2 94.53(19) 1_455 15_565 ? 
O11 T1 Z2 89.94(17) 7_545 15_565 ? 
O7B T1 Z2 31.7(6) 15_665 15_565 ? 
O7B T1 Z2 136.0(17) 9_666 15_565 ? 
O7A T1 Z2 34.5(3) 15_665 15_565 ? 
O7A T1 Z2 133.2(15) 9_666 15_565 ? 
Bi3 T1 Z2 85.8(6) 15_665 15_565 ? 
Bi3 T1 Z2 85.7(6) 9_666 15_565 ? 
X3 T1 Z2 84.1(5) 15_665 15_565 ? 
X3 T1 Z2 87.4(6) 9_666 15_565 ? 
O11 T1 Z2 89.94(17) 1_455 9_656 ? 
O11 T1 Z2 94.53(19) 7_545 9_656 ? 
O7B T1 Z2 136.0(17) 15_665 9_656 ? 
O7B T1 Z2 31.7(6) 9_666 9_656 ? 
O7A T1 Z2 133.2(15) 15_665 9_656 ? 
O7A T1 Z2 34.5(3) 9_666 9_656 ? 
Bi3 T1 Z2 85.7(6) 15_665 9_656 ? 
Bi3 T1 Z2 85.8(6) 9_666 9_656 ? 
X3 T1 Z2 87.4(6) 15_665 9_656 ? 
X3 T1 Z2 84.1(5) 9_666 9_656 ? 
Z2 T1 Z2 167.7(14) 15_565 9_656 ? 
Z1 O1 Y3AL 135.5(2) 9_665 . ? 
Z1 O1 X1CA 94.38(14) 9_665 . ? 
Y3AL O1 X1CA 100.69(16) . . ? 
Z1 O1 X2CA 122.36(18) 9_665 5_655 ? 
Y3AL O1 X2CA 96.39(14) . 5_655 ? 
X1CA O1 X2CA 99.11(13) . 5_655 ? 
Z2 O2 Y3AL 130.0(2) 15_665 . ? 
Z2 O2 X2CA 99.60(16) 15_665 . ? 
Y3AL O2 X2CA 103.55(15) . . ? 
Z2 O2 X1CA 126.18(18) 15_665 . ? 
Y3AL O2 X1CA 94.72(13) . . ? 
X2CA O2 X1CA 96.10(12) . . ? 
Z2 O2 Bi3 70.3(3) 15_665 9_766 ? 
Y3AL O2 Bi3 60.8(2) . 9_766 ? 
X2CA O2 Bi3 130.2(4) . 9_766 ? 
X1CA O2 Bi3 130.0(4) . 9_766 ? 
Z2 O2 X3 72.48(17) 15_665 9_766 ? 
Y3AL O2 X3 59.58(14) . 9_766 ? 
X2CA O2 X3 134.38(18) . 9_766 ? 
X1CA O2 X3 125.39(19) . 9_766 ? 
Bi3 O2 X3 4.6(3) 9_766 9_766 ? 
Z2 O3 Y3AL 130.5(2) 12_656 . ? 
Z2 O3 X3 99.5(2) 12_656 9_766 ? 
Y3AL O3 X3 102.2(3) . 9_766 ? 
Z2 O3 X2CA 125.44(19) 12_656 15_665 ? 
Y3AL O3 X2CA 96.37(14) . 15_665 ? 
X3 O3 X2CA 94.7(3) 9_766 15_665 ? 
Z2 O3 Bi3 102.4(4) 12_656 9_766 ? 
Y3AL O3 Bi3 93.5(7) . 9_766 ? 
X3 O3 Bi3 9.8(4) 9_766 9_766 ? 
X2CA O3 Bi3 100.3(4) 15_665 9_766 ? 
Z2 O4 Y2 129.2(2) 15_665 7_655 ? 
Z2 O4 Y3MN 131.7(2) 15_665 15_666 ? 
Y2 O4 Y3MN 95.52(14) 7_655 15_666 ? 
Z2 O4 Y3AL 131.7(2) 15_665 15_666 ? 
Y2 O4 Y3AL 95.52(14) 7_655 15_666 ? 
Y3MN O4 Y3AL 0.00(7) 15_666 15_666 ? 
Z2 O4 X2CA 96.55(15) 15_665 . ? 
Y2 O4 X2CA 99.07(13) 7_655 . ? 
Y3MN O4 X2CA 92.45(13) 15_666 . ? 
Y3AL O4 X2CA 92.45(13) 15_666 . ? 
Z2 O4 Bi3 69.6(2) 15_665 15_765 ? 
Y2 O4 Bi3 62.5(2) 7_655 15_765 ? 
Y3MN O4 Bi3 135.4(4) 15_666 15_765 ? 
Y3AL O4 Bi3 135.4(4) 15_666 15_765 ? 
X2CA O4 Bi3 127.3(4) . 15_765 ? 
Z2 O4 X3 71.51(16) 15_665 15_765 ? 
Y2 O4 X3 62.54(12) 7_655 15_765 ? 
Y3MN O4 X3 130.0(2) 15_666 15_765 ? 
Y3AL O4 X3 130.0(2) 15_666 15_765 ? 
X2CA O4 X3 132.9(2) . 15_765 ? 
Bi3 O4 X3 5.8(3) 15_765 15_765 ? 
Z2 O4 Bi3 161.9(4) 15_665 7_546 ? 
Y2 O4 Bi3 56.7(2) 7_655 7_546 ? 
Y3MN O4 Bi3 54.8(3) 15_666 7_546 ? 
Y3AL O4 Bi3 54.8(3) 15_666 7_546 ? 
X2CA O4 Bi3 65.4(4) . 7_546 ? 
Bi3 O4 Bi3 119.2(3) 15_765 7_546 ? 
X3 O4 Bi3 119.0(3) 15_765 7_546 ? 
Z2 O4 X3 156.2(3) 15_665 7_546 ? 
Y2 O4 X3 58.59(13) 7_655 7_546 ? 
Y3MN O4 X3 58.29(17) 15_666 7_546 ? 
Y3AL O4 X3 58.29(17) 15_666 7_546 ? 
X2CA O4 X3 59.8(2) . 7_546 ? 
Bi3 O4 X3 120.7(3) 15_765 7_546 ? 
X3 O4 X3 121.12(13) 15_765 7_546 ? 
Bi3 O4 X3 5.8(2) 7_546 7_546 ? 
Z3 O5 Y3AL 125.5(2) 7_545 . ? 
Z3 O5 X2CA 107.45(18) 7_545 5_655 ? 
Y3AL O5 X2CA 98.71(15) . 5_655 ? 
Z3 O5 X2CA 121.75(19) 7_545 . ? 
Y3AL O5 X2CA 100.24(15) . . ? 
X2CA O5 X2CA 97.58(13) 5_655 . ? 
Z3 O6 Y1MN 119.4(2) 6_565 . ? 
Z3 O6 X4 101.9(2) 6_565 . ? 
Y1MN O6 X4 24.80(13) . . ? 
Z3 O6 X3 147.1(3) 6_565 1_554 ? 
Y1MN O6 X3 91.7(2) . 1_554 ? 
X4 O6 X3 111.0(2) . 1_554 ? 
Z3 O6 Bi3 146.0(3) 6_565 1_554 ? 
Y1MN O6 Bi3 93.1(3) . 1_554 ? 
X4 O6 Bi3 112.1(3) . 1_554 ? 
X3 O6 Bi3 1.5(4) 1_554 1_554 ? 
Z3 O6 X3 89.26(19) 6_565 4_564 ? 
Y1MN O6 X3 79.1(3) . 4_564 ? 
X4 O6 X3 96.0(3) . 4_564 ? 
X3 O6 X3 86.1(3) 1_554 4_564 ? 
Bi3 O6 X3 87.0(2) 1_554 4_564 ? 
Z3 O6 X2CA 82.58(15) 6_565 7_655 ? 
Y1MN O6 X2CA 140.60(17) . 7_655 ? 
X4 O6 X2CA 126.86(18) . 7_655 ? 
X3 O6 X2CA 78.95(17) 1_554 7_655 ? 
Bi3 O6 X2CA 77.5(3) 1_554 7_655 ? 
X3 O6 X2CA 137.2(3) 4_564 7_655 ? 
Z3 O6 Bi3 89.0(3) 6_565 4_564 ? 
Y1MN O6 Bi3 84.7(5) . 4_564 ? 
X4 O6 Bi3 102.3(5) . 4_564 ? 
X3 O6 Bi3 82.9(3) 1_554 4_564 ? 
Bi3 O6 Bi3 83.7(5) 1_554 4_564 ? 
X3 O6 Bi3 6.4(3) 4_564 4_564 ? 
X2CA O6 Bi3 130.9(5) 7_655 4_564 ? 
O7B O7A Z2 83(4) . 1_565 ? 
O7B O7A T1 16(4) . 9_666 ? 
Z2 O7A T1 99.4(14) 1_565 9_666 ? 
O7B O7A Bi3 76(4) . . ? 
Z2 O7A Bi3 129.1(9) 1_565 . ? 
T1 O7A Bi3 62.9(9) 9_666 . ? 
O7B O7A Bi3 68(4) . 7_556 ? 
Z2 O7A Bi3 123.7(10) 1_565 7_556 ? 
T1 O7A Bi3 61.4(9) 9_666 7_556 ? 
Bi3 O7A Bi3 90.9(9) . 7_556 ? 
O7B O7A X3 85(4) . . ? 
Z2 O7A X3 129.0(6) 1_565 . ? 
T1 O7A X3 71.5(7) 9_666 . ? 
Bi3 O7A X3 8.7(5) . . ? 
Bi3 O7A X3 96.6(7) 7_556 . ? 
O7B O7A X3 178(4) . 3_655 ? 
Z2 O7A X3 95.5(10) 1_565 3_655 ? 
T1 O7A X3 165.0(9) 9_666 3_655 ? 
Bi3 O7A X3 106.1(12) . 3_655 ? 
Bi3 O7A X3 110.8(8) 7_556 3_655 ? 
X3 O7A X3 97.9(9) . 3_655 ? 
O7B O7A Bi3 169(4) . 3_655 ? 
Z2 O7A Bi3 94.7(10) 1_565 3_655 ? 
T1 O7A Bi3 164.0(9) 9_666 3_655 ? 
Bi3 O7A Bi3 112.9(14) . 3_655 ? 
Bi3 O7A Bi3 104.3(8) 7_556 3_655 ? 
X3 O7A Bi3 105.0(11) . 3_655 ? 
X3 O7A Bi3 8.8(4) 3_655 3_655 ? 
O7B O7A X3 74(4) . 7_556 ? 
Z2 O7A X3 125.0(7) 1_565 7_556 ? 
T1 O7A X3 67.6(7) 9_666 7_556 ? 
Bi3 O7A X3 93.6(7) . 7_556 ? 
Bi3 O7A X3 6.2(5) 7_556 7_556 ? 
X3 O7A X3 98.6(5) . 7_556 ? 
X3 O7A X3 104.6(7) 3_655 7_556 ? 
Bi3 O7A X3 98.1(6) 3_655 7_556 ? 
O7A O7B Z2 86(4) . 1_565 ? 
O7A O7B T1 161(4) . 9_666 ? 
Z2 O7B T1 113(2) 1_565 9_666 ? 
O7A O7B Bi3 96(4) . . ? 
Z2 O7B Bi3 133.2(9) 1_565 . ? 
T1 O7B Bi3 68.5(12) 9_666 . ? 
O7A O7B Bi3 104(4) . 7_556 ? 
Z2 O7B Bi3 130.1(10) 1_565 7_556 ? 
T1 O7B Bi3 67.6(12) 9_666 7_556 ? 
Bi3 O7B Bi3 95.0(9) . 7_556 ? 
O7A O7B X3 88(4) . . ? 
Z2 O7B X3 129.9(8) 1_565 . ? 
T1 O7B X3 76.5(10) 9_666 . ? 
Bi3 O7B X3 8.1(5) . . ? 
Bi3 O7B X3 99.5(7) 7_556 . ? 
O7A O7B X3 99(4) . 7_556 ? 
Z2 O7B X3 129.4(8) 1_565 7_556 ? 
T1 O7B X3 73.0(10) 9_666 7_556 ? 
Bi3 O7B X3 96.8(8) . 7_556 ? 
Bi3 O7B X3 5.5(5) 7_556 7_556 ? 
X3 O7B X3 100.7(6) . 7_556 ? 
O7A O7B X3 2(4) . 3_655 ? 
Z2 O7B X3 84.7(15) 1_565 3_655 ? 
T1 O7B X3 162.0(12) 9_666 3_655 ? 
Bi3 O7B X3 97.8(14) . 3_655 ? 
Bi3 O7B X3 103.4(12) 7_556 3_655 ? 
X3 O7B X3 90.2(11) . 3_655 ? 
X3 O7B X3 98.0(10) 7_556 3_655 ? 
O7A O7B Bi3 10(4) . 3_655 ? 
Z2 O7B Bi3 84.1(15) 1_565 3_655 ? 
T1 O7B Bi3 162.0(12) 9_666 3_655 ? 
Bi3 O7B Bi3 103.9(17) . 3_655 ? 
Bi3 O7B Bi3 97.7(11) 7_556 3_655 ? 
X3 O7B Bi3 96.6(13) . 3_655 ? 
X3 O7B Bi3 92.2(9) 7_556 3_655 ? 
X3 O7B Bi3 7.9(3) 3_655 3_655 ? 
Z3 O8 Y2 125.72(19) 7 1_665 ? 
Z3 O8 X2CA 122.18(18) 7 7_655 ? 
Y2 O8 X2CA 104.65(15) 1_665 7_655 ? 
Z3 O8 X3 104.1(3) 7 1_554 ? 
Y2 O8 X3 100.2(3) 1_665 1_554 ? 
X2CA O8 X3 91.5(2) 7_655 1_554 ? 
Z3 O8 Bi3 108.9(4) 7 1_554 ? 
Y2 O8 Bi3 91.5(6) 1_665 1_554 ? 
X2CA O8 Bi3 94.7(3) 7_655 1_554 ? 
X3 O8 Bi3 8.7(4) 1_554 1_554 ? 
Z3 O9 Z3 135.0(3) 7 . ? 
Z3 O9 X4 85.68(16) 7 . ? 
Z3 O9 X4 137.5(2) . . ? 
Z3 O9 X4 137.5(2) 7 5_655 ? 
Z3 O9 X4 85.68(16) . 5_655 ? 
X4 O9 X4 60.3(3) . 5_655 ? 
Cl O10 Y1MN 180.00(2) . 1_556 ? 
Cl O10 X3 92.6(10) . 2_665 ? 
Y1MN O10 X3 87.4(10) 1_556 2_665 ? 
Cl O10 X3 92.6(10) . 3_655 ? 
Y1MN O10 X3 87.4(10) 1_556 3_655 ? 
X3 O10 X3 89.88(9) 2_665 3_655 ? 
Cl O10 X3 92.6(10) . 4_565 ? 
Y1MN O10 X3 87.4(10) 1_556 4_565 ? 
X3 O10 X3 89.88(9) 2_665 4_565 ? 
X3 O10 X3 175(2) 3_655 4_565 ? 
Cl O10 X3 92.6(10) . . ? 
Y1MN O10 X3 87.4(10) 1_556 . ? 
X3 O10 X3 175(2) 2_665 . ? 
X3 O10 X3 89.88(9) 3_655 . ? 
X3 O10 X3 89.88(9) 4_565 . ? 
Cl O10 Bi3 86.4(10) . 2_665 ? 
Y1MN O10 Bi3 93.6(10) 1_556 2_665 ? 
X3 O10 Bi3 7.1(3) 2_665 2_665 ? 
X3 O10 Bi3 93.6(4) 3_655 2_665 ? 
X3 O10 Bi3 86.7(4) 4_565 2_665 ? 
X3 O10 Bi3 176.4(7) . 2_665 ? 
Cl O10 Bi3 86.4(10) . 4_565 ? 
Y1MN O10 Bi3 93.6(10) 1_556 4_565 ? 
X3 O10 Bi3 93.6(4) 2_665 4_565 ? 
X3 O10 Bi3 176.4(7) 3_655 4_565 ? 
X3 O10 Bi3 7.1(3) 4_565 4_565 ? 
X3 O10 Bi3 86.7(4) . 4_565 ? 
Bi3 O10 Bi3 89.78(12) 2_665 4_565 ? 
Cl O10 Bi3 86.4(10) . 3_655 ? 
Y1MN O10 Bi3 93.6(10) 1_556 3_655 ? 
X3 O10 Bi3 86.7(4) 2_665 3_655 ? 
X3 O10 Bi3 7.1(3) 3_655 3_655 ? 
X3 O10 Bi3 176.4(7) 4_565 3_655 ? 
X3 O10 Bi3 93.6(4) . 3_655 ? 
Bi3 O10 Bi3 89.78(12) 2_665 3_655 ? 
Bi3 O10 Bi3 172.9(19) 4_565 3_655 ? 
Cl O10 Bi3 86.4(10) . . ? 
Y1MN O10 Bi3 93.6(10) 1_556 . ? 
X3 O10 Bi3 176.4(7) 2_665 . ? 
X3 O10 Bi3 86.7(4) 3_655 . ? 
X3 O10 Bi3 93.6(4) 4_565 . ? 
X3 O10 Bi3 7.1(3) . . ? 
Bi3 O10 Bi3 172.9(19) 2_665 . ? 
Bi3 O10 Bi3 89.78(12) 4_565 . ? 
Bi3 O10 Bi3 89.78(12) 3_655 . ? 
Cl O10 X4 180.00(2) . 1_556 ? 
Y1MN O10 X4 0.000(2) 1_556 1_556 ? 
X3 O10 X4 87.4(10) 2_665 1_556 ? 
X3 O10 X4 87.4(10) 3_655 1_556 ? 
X3 O10 X4 87.4(10) 4_565 1_556 ? 
X3 O10 X4 87.4(10) . 1_556 ? 
Bi3 O10 X4 93.6(10) 2_665 1_556 ? 
Bi3 O10 X4 93.6(10) 4_565 1_556 ? 
Bi3 O10 X4 93.6(10) 3_655 1_556 ? 
Bi3 O10 X4 93.6(10) . 1_556 ? 
Cl O10 Bi3 43.8(6) . 8_666 ? 
Y1MN O10 Bi3 136.2(6) 1_556 8_666 ? 
X3 O10 Bi3 58.6(8) 2_665 8_666 ? 
X3 O10 Bi3 116.6(10) 3_655 8_666 ? 
X3 O10 Bi3 67.5(6) 4_565 8_666 ? 
X3 O10 Bi3 125.9(11) . 8_666 ? 
Bi3 O10 Bi3 51.6(9) 2_665 8_666 ? 
Bi3 O10 Bi3 64.8(7) 4_565 8_666 ? 
Bi3 O10 Bi3 109.6(10) 3_655 8_666 ? 
Bi3 O10 Bi3 122.1(12) . 8_666 ? 
X4 O10 Bi3 136.2(6) 1_556 8_666 ? 
O10 Cl Cl 180.00(6) . 5_656 ? 
O10 Cl Y1MN 0.00(4) . 1_556 ? 
Cl Cl Y1MN 180.000(5) 5_656 1_556 ? 
O10 Cl X3 77.5(6) . 2_665 ? 
Cl Cl X3 102.5(6) 5_656 2_665 ? 
Y1MN Cl X3 77.5(6) 1_556 2_665 ? 
O10 Cl X3 77.5(6) . 3_655 ? 
Cl Cl X3 102.5(6) 5_656 3_655 ? 
Y1MN Cl X3 77.5(6) 1_556 3_655 ? 
X3 Cl X3 87.3(3) 2_665 3_655 ? 
O10 Cl X3 77.5(6) . 4_565 ? 
Cl Cl X3 102.5(6) 5_656 4_565 ? 
Y1MN Cl X3 77.5(6) 1_556 4_565 ? 
X3 Cl X3 87.3(3) 2_665 4_565 ? 
X3 Cl X3 154.9(12) 3_655 4_565 ? 
O10 Cl X3 77.5(6) . . ? 
Cl Cl X3 102.5(6) 5_656 . ? 
Y1MN Cl X3 77.5(6) 1_556 . ? 
X3 Cl X3 154.9(12) 2_665 . ? 
X3 Cl X3 87.3(3) 3_655 . ? 
X3 Cl X3 87.3(3) 4_565 . ? 
O10 Cl Bi3 84.3(7) . 2_665 ? 
Cl Cl Bi3 95.7(7) 5_656 2_665 ? 
Y1MN Cl Bi3 84.3(7) 1_556 2_665 ? 
X3 Cl Bi3 7.6(3) 2_665 2_665 ? 
X3 Cl Bi3 92.1(4) 3_655 2_665 ? 
X3 Cl Bi3 85.4(4) 4_565 2_665 ? 
X3 Cl Bi3 161.4(12) . 2_665 ? 
O10 Cl Bi3 84.3(7) . 3_655 ? 
Cl Cl Bi3 95.7(7) 5_656 3_655 ? 
Y1MN Cl Bi3 84.3(7) 1_556 3_655 ? 
X3 Cl Bi3 85.4(4) 2_665 3_655 ? 
X3 Cl Bi3 7.6(3) 3_655 3_655 ? 
X3 Cl Bi3 161.4(12) 4_565 3_655 ? 
X3 Cl Bi3 92.1(4) . 3_655 ? 
Bi3 Cl Bi3 89.43(14) 2_665 3_655 ? 
O10 Cl Bi3 84.3(7) . 4_565 ? 
Cl Cl Bi3 95.7(7) 5_656 4_565 ? 
Y1MN Cl Bi3 84.3(7) 1_556 4_565 ? 
X3 Cl Bi3 92.1(4) 2_665 4_565 ? 
X3 Cl Bi3 161.4(12) 3_655 4_565 ? 
X3 Cl Bi3 7.6(3) 4_565 4_565 ? 
X3 Cl Bi3 85.4(4) . 4_565 ? 
Bi3 Cl Bi3 89.43(14) 2_665 4_565 ? 
Bi3 Cl Bi3 168.5(14) 3_655 4_565 ? 
O10 Cl Bi3 84.3(7) . . ? 
Cl Cl Bi3 95.7(7) 5_656 . ? 
Y1MN Cl Bi3 84.3(7) 1_556 . ? 
X3 Cl Bi3 161.4(12) 2_665 . ? 
X3 Cl Bi3 85.4(4) 3_655 . ? 
X3 Cl Bi3 92.1(4) 4_565 . ? 
X3 Cl Bi3 7.6(3) . . ? 
Bi3 Cl Bi3 168.5(14) 2_665 . ? 
Bi3 Cl Bi3 89.43(14) 3_655 . ? 
Bi3 Cl Bi3 89.43(14) 4_565 . ? 
O10 Cl X4 0.00(4) . 1_556 ? 
Cl Cl X4 180.000(5) 5_656 1_556 ? 
Y1MN Cl X4 0.000(1) 1_556 1_556 ? 
X3 Cl X4 77.5(6) 2_665 1_556 ? 
X3 Cl X4 77.5(6) 3_655 1_556 ? 
X3 Cl X4 77.5(6) 4_565 1_556 ? 
X3 Cl X4 77.5(6) . 1_556 ? 
Bi3 Cl X4 84.3(7) 2_665 1_556 ? 
Bi3 Cl X4 84.3(7) 3_655 1_556 ? 
Bi3 Cl X4 84.3(7) 4_565 1_556 ? 
Bi3 Cl X4 84.3(7) . 1_556 ? 
T1 O11 Y2 131.9(2) 1_655 1_655 ? 
T1 O11 Y3AL 124.8(2) 1_655 . ? 
Y2 O11 Y3AL 102.27(16) 1_655 . ? 
T1 O11 Bi3 71.4(13) 1_655 9_766 ? 
Y2 O11 Bi3 109.6(5) 1_655 9_766 ? 
Y3AL O11 Bi3 103.3(4) . 9_766 ? 
T1 O11 X3 78.1(12) 1_655 9_766 ? 
Y2 O11 X3 104.0(3) 1_655 9_766 ? 
Y3AL O11 X3 101.1(2) . 9_766 ? 
Bi3 O11 X3 6.9(5) 9_766 9_766 ? 
T1 O11 Bi3 13.3(12) 1_655 15_765 ? 
Y2 O11 Bi3 131.3(2) 1_655 15_765 ? 
Y3AL O11 Bi3 126.1(2) . 15_765 ? 
Bi3 O11 Bi3 58.2(6) 9_766 15_765 ? 
X3 O11 Bi3 64.87(18) 9_766 15_765 ? 
 
_diffrn_measured_fraction_theta_max    0.996 
_diffrn_reflns_theta_full              30.07 
_diffrn_measured_fraction_theta_full   0.996 
_refine_diff_density_max    1.231 
_refine_diff_density_min   -0.858 
_refine_diff_density_rms    0.202