data_proud5b _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Bi40 Cu4 Pb32 S62 Se32' _chemical_formula_weight 19757.88 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Se' 'Se' -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pb' 'Pb' -3.3944 10.1111 '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' 'Cu' 'Cu' 0.3201 1.2651 '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, -y, z' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z' '-x, -y, -z' '-x, y, -z' '-x+1/2, -y+1/2, -z' '-x+1/2, y+1/2, -z' _cell_length_a 31.814(10) _cell_length_b 4.100(10) _cell_length_c 36.560(10) _cell_angle_alpha 90.00 _cell_angle_beta 109.266(10) _cell_angle_gamma 90.00 _cell_volume 4502(11) _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 7.288 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 8140 _exptl_absorpt_coefficient_mu 76.367 _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 0.70930 _diffrn_radiation_type ? _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 18848 _diffrn_reflns_av_R_equivalents 0.0762 _diffrn_reflns_av_sigmaI/netI 0.0790 _diffrn_reflns_limit_h_min -40 _diffrn_reflns_limit_h_max 40 _diffrn_reflns_limit_k_min -3 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -48 _diffrn_reflns_limit_l_max 48 _diffrn_reflns_theta_min 1.18 _diffrn_reflns_theta_max 27.77 _reflns_number_total 5765 _reflns_number_gt 3388 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1422P)^2^+0.0083P] 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 0.000000(6) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 5765 _refine_ls_number_parameters 306 _refine_ls_number_restraints 24 _refine_ls_R_factor_all 0.1392 _refine_ls_R_factor_gt 0.0822 _refine_ls_wR_factor_ref 0.2286 _refine_ls_wR_factor_gt 0.1932 _refine_ls_goodness_of_fit_ref 0.976 _refine_ls_restrained_S_all 0.974 _refine_ls_shift/su_max 3.880 _refine_ls_shift/su_mean 0.014 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 Bi1 Bi 0.15135(5) 0.5000 0.15886(4) 0.0225(4) Uani 1 2 d S . . Pb2 Pb -0.14999(5) 0.0000 -0.34867(4) 0.0262(4) Uani 1 2 d S . . Pb3 Pb 0.09015(5) 0.0000 0.05781(4) 0.0223(4) Uani 1 2 d S . . Pb4 Pb 0.21068(5) 0.0000 0.25878(4) 0.0251(4) Uani 1 2 d S . . Bi5 Bi -0.08572(6) 0.5000 -0.24695(4) 0.0274(4) Uani 1 2 d S . . Bi6 Bi 0.27379(5) 0.5000 0.36010(4) 0.0249(4) Uani 1 2 d S . . Pb7 Pb -0.02670(5) 0.0000 -0.14503(4) 0.0244(4) Uani 1 2 d S . . Pb8 Pb -0.21338(5) 0.5000 -0.44900(4) 0.0257(4) Uani 1 2 d S . . Bi9 Bi 0.33998(5) 0.0000 0.46164(4) 0.0228(4) Uani 1 2 d S . . Pb10 Pb 0.03458(5) 0.5000 -0.04399(4) 0.0252(4) Uani 1 2 d S . . Bi11 Bi 0.21576(6) 0.0000 0.03788(4) 0.0294(4) Uani 1 2 d S . . Pb12 Pb 0.28870(6) 0.0000 0.16044(4) 0.0300(4) Uani 1 2 d S . . Bi13 Bi 0.06023(6) 0.5000 -0.39925(4) 0.0339(5) Uani 1 2 d S . . Bi14 Bi 0.16338(5) 0.0000 -0.08141(4) 0.0277(4) Uani 1 2 d S . . Bi15 Bi 0.07985(6) 0.0000 -0.19458(4) 0.0314(4) Uani 1 2 d S . . Bi16 Bi 0.01710(6) 0.0000 -0.31776(4) 0.0297(4) Uani 1 2 d S . . Bi17 Bi 0.36702(6) 0.0000 0.27271(4) 0.0311(4) Uani 1 2 d S . . Pb18 Pb 0.41899(8) 0.5000 0.56515(5) 0.0506(6) Uani 1 2 d S . . Cu1 Cu 0.0450(2) 0.0000 0.50589(17) 0.0516(17) Uani 1 2 d S . . Se1 Se 0.11972(15) 0.5000 0.01754(12) 0.0241(16) Uani 0.85(3) 2 d SP . . S1 S 0.11972(15) 0.5000 0.01754(12) 0.0241(16) Uani 0.15(3) 2 d SP . . Se2 Se 0.17610(16) 0.0000 0.11608(12) 0.0176(16) Uani 0.64(3) 2 d SP . . S2 S 0.17610(16) 0.0000 0.11608(12) 0.0176(16) Uani 0.36(3) 2 d SP . . Se3 Se 0.23630(15) 0.5000 0.21369(13) 0.0244(16) Uani 0.81(3) 2 d SP . . S3 S 0.23630(15) 0.5000 0.21369(13) 0.0244(16) Uani 0.19(3) 2 d SP . . Se4 Se 0.29685(18) 0.0000 0.31695(15) 0.0270(19) Uani 0.61(3) 2 d SP . . S4 S 0.29685(18) 0.0000 0.31695(15) 0.0270(19) Uani 0.39(3) 2 d SP . . Se5 Se 0.06002(16) 0.0000 -0.08655(13) 0.0275(18) Uani 0.78(3) 2 d SP . . S5 S 0.06002(16) 0.0000 -0.08655(13) 0.0275(18) Uani 0.22(3) 2 d SP . . Se6 Se -0.00092(17) 0.5000 -0.18738(14) 0.0299(19) Uani 0.72(3) 2 d SP . . S6 S -0.00092(17) 0.5000 -0.18738(14) 0.0299(19) Uani 0.28(3) 2 d SP . . Se7 Se -0.0629(2) 0.0000 -0.28839(19) 0.031(2) Uani 0.44(3) 2 d SP . . S7 S -0.0629(2) 0.0000 -0.28839(19) 0.031(2) Uani 0.56(3) 2 d SP . . Se8 Se 0.35905(16) 0.5000 0.41408(13) 0.0260(17) Uani 0.75(3) 2 d SP . . S8 S 0.35905(16) 0.5000 0.41408(13) 0.0260(17) Uani 0.25(3) 2 d SP . . Se9 Se 0.1792(3) 0.5000 0.3026(2) 0.021(3) Uani 0.11(3) 2 d SP . . S9 S 0.1792(3) 0.5000 0.3026(2) 0.021(3) Uani 0.89(3) 2 d SP . . Se10 Se 0.0000 0.0000 0.0000 0.016(4) Uani 0.07(4) 4 d SP . . S10 S 0.0000 0.0000 0.0000 0.016(4) Uani 0.93(4) 4 d SP . . Se11 Se 0.1182(3) 0.0000 0.2015(2) 0.016(3) Uani 0.06(3) 2 d SP . . S11 S 0.1182(3) 0.0000 0.2015(2) 0.016(3) Uani 0.94(3) 2 d SP . . S12 S 0.0569(3) 0.5000 0.1003(2) 0.017(2) Uani 1 2 d S . . Se13 Se -0.1272(2) 0.5000 -0.39407(18) 0.020(2) Uani 0.28(3) 2 d SP . . S13 S -0.1272(2) 0.5000 -0.39407(18) 0.020(2) Uani 0.72(3) 2 d SP . . Se14 Se -0.2416(3) 0.0000 -0.4042(2) 0.017(3) Uani 0.01(3) 2 d SP . . S14 S -0.2416(3) 0.0000 -0.4042(2) 0.017(3) Uani 0.99(3) 2 d SP . . Se15 Se 0.3194(3) 0.5000 0.5095(2) 0.019(3) Uani 0.12(3) 2 d SP . . S15 S 0.3194(3) 0.5000 0.5095(2) 0.019(3) Uani 0.88(3) 2 d SP . . Se16 Se 0.1326(3) 0.5000 -0.1388(2) 0.029(3) Uani 0.16(3) 2 d SP . . S16 S 0.1326(3) 0.5000 -0.1388(2) 0.029(3) Uani 0.84(3) 2 d SP . . Se17 Se 0.0539(3) 0.5000 -0.2587(2) 0.028(3) Uani 0.14(3) 2 d SP . . S17 S 0.0539(3) 0.5000 -0.2587(2) 0.028(3) Uani 0.86(3) 2 d SP . . Se18 Se -0.0123(2) 0.5000 -0.37452(19) 0.024(3) Uani 0.24(3) 2 d SP . . S18 S -0.0123(2) 0.5000 -0.37452(19) 0.024(3) Uani 0.76(3) 2 d SP . . Se19 Se 0.0966(3) 0.0000 -0.3298(2) 0.027(3) Uani 0.20(3) 2 d SP . . S19 S 0.0966(3) 0.0000 -0.3298(2) 0.027(3) Uani 0.80(3) 2 d SP . . Se20 Se 0.2393(3) 0.0000 -0.0967(2) 0.023(3) Uani 0.13(3) 2 d SP . . S20 S 0.2393(3) 0.0000 -0.0967(2) 0.023(3) Uani 0.87(3) 2 d SP . . S21 S 0.1574(3) 0.0000 -0.2130(3) 0.021(2) Uani 1 2 d S . . Se22 Se 0.2027(3) 0.5000 -0.0261(2) 0.030(3) Uani 0.11(3) 2 d SP . . S22 S 0.2027(3) 0.5000 -0.0261(2) 0.030(3) Uani 0.89(3) 2 d SP . . Se23 Se 0.4236(3) 0.0000 0.5063(2) 0.016(3) Uani 0.05(3) 2 d SP . . S23 S 0.4236(3) 0.0000 0.5063(2) 0.016(3) Uani 0.95(3) 2 d SP . . Se24 Se -0.0168(3) 0.0000 0.4447(3) 0.031(4) Uani 0.08(3) 2 d SP . . S24 S -0.0168(3) 0.0000 0.4447(3) 0.031(4) Uani 0.92(3) 2 d SP . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Bi1 0.0319(9) 0.0205(8) 0.0139(7) 0.000 0.0059(6) 0.000 Pb2 0.0381(9) 0.0221(9) 0.0171(7) 0.000 0.0075(6) 0.000 Pb3 0.0341(9) 0.0185(8) 0.0137(7) 0.000 0.0071(6) 0.000 Pb4 0.0362(9) 0.0211(8) 0.0165(7) 0.000 0.0068(6) 0.000 Bi5 0.0414(10) 0.0223(9) 0.0178(7) 0.000 0.0088(6) 0.000 Bi6 0.0364(9) 0.0211(9) 0.0149(7) 0.000 0.0054(6) 0.000 Pb7 0.0354(9) 0.0213(9) 0.0165(7) 0.000 0.0085(6) 0.000 Pb8 0.0394(9) 0.0206(9) 0.0168(7) 0.000 0.0088(6) 0.000 Bi9 0.0318(8) 0.0205(8) 0.0139(7) 0.000 0.0048(6) 0.000 Pb10 0.0373(9) 0.0200(9) 0.0164(7) 0.000 0.0063(6) 0.000 Bi11 0.0389(10) 0.0270(9) 0.0208(8) 0.000 0.0078(7) 0.000 Pb12 0.0442(10) 0.0231(9) 0.0207(7) 0.000 0.0080(7) 0.000 Bi13 0.0612(12) 0.0216(9) 0.0195(8) 0.000 0.0141(8) 0.000 Bi14 0.0399(9) 0.0238(9) 0.0169(7) 0.000 0.0062(6) 0.000 Bi15 0.0430(10) 0.0254(9) 0.0253(8) 0.000 0.0107(7) 0.000 Bi16 0.0439(10) 0.0253(9) 0.0194(7) 0.000 0.0097(7) 0.000 Bi17 0.0501(11) 0.0237(9) 0.0178(7) 0.000 0.0087(7) 0.000 Pb18 0.0909(17) 0.0345(11) 0.0221(9) 0.000 0.0129(9) 0.000 Cu1 0.059(4) 0.065(4) 0.033(3) 0.000 0.018(3) 0.000 Se1 0.033(3) 0.020(3) 0.021(2) 0.000 0.0118(18) 0.000 S1 0.033(3) 0.020(3) 0.021(2) 0.000 0.0118(18) 0.000 Se2 0.024(3) 0.017(3) 0.011(2) 0.000 0.0045(18) 0.000 S2 0.024(3) 0.017(3) 0.011(2) 0.000 0.0045(18) 0.000 Se3 0.031(3) 0.021(3) 0.022(2) 0.000 0.0110(19) 0.000 S3 0.031(3) 0.021(3) 0.022(2) 0.000 0.0110(19) 0.000 Se4 0.034(3) 0.021(3) 0.025(3) 0.000 0.010(2) 0.000 S4 0.034(3) 0.021(3) 0.025(3) 0.000 0.010(2) 0.000 Se5 0.031(3) 0.027(3) 0.026(3) 0.000 0.011(2) 0.000 S5 0.031(3) 0.027(3) 0.026(3) 0.000 0.011(2) 0.000 Se6 0.037(3) 0.026(3) 0.028(3) 0.000 0.012(2) 0.000 S6 0.037(3) 0.026(3) 0.028(3) 0.000 0.012(2) 0.000 Se7 0.035(4) 0.029(4) 0.032(4) 0.000 0.014(3) 0.000 S7 0.035(4) 0.029(4) 0.032(4) 0.000 0.014(3) 0.000 Se8 0.036(3) 0.024(3) 0.017(2) 0.000 0.0066(19) 0.000 S8 0.036(3) 0.024(3) 0.017(2) 0.000 0.0066(19) 0.000 Se9 0.021(5) 0.025(6) 0.014(4) 0.000 0.002(3) 0.000 S9 0.021(5) 0.025(6) 0.014(4) 0.000 0.002(3) 0.000 Se10 0.019(7) 0.014(7) 0.013(6) 0.000 0.003(4) 0.000 S10 0.019(7) 0.014(7) 0.013(6) 0.000 0.003(4) 0.000 Se11 0.022(5) 0.015(5) 0.013(4) 0.000 0.008(3) 0.000 S11 0.022(5) 0.015(5) 0.013(4) 0.000 0.008(3) 0.000 S12 0.018(5) 0.017(5) 0.017(4) 0.000 0.007(4) 0.000 Se13 0.034(4) 0.012(4) 0.018(4) 0.000 0.015(3) 0.000 S13 0.034(4) 0.012(4) 0.018(4) 0.000 0.015(3) 0.000 Se14 0.031(6) 0.012(6) 0.007(4) 0.000 0.004(3) 0.000 S14 0.031(6) 0.012(6) 0.007(4) 0.000 0.004(3) 0.000 Se15 0.040(5) 0.012(5) 0.012(4) 0.000 0.017(3) 0.000 S15 0.040(5) 0.012(5) 0.012(4) 0.000 0.017(3) 0.000 Se16 0.036(5) 0.021(5) 0.024(5) 0.000 0.003(4) 0.000 S16 0.036(5) 0.021(5) 0.024(5) 0.000 0.003(4) 0.000 Se17 0.039(6) 0.033(6) 0.010(4) 0.000 0.005(3) 0.000 S17 0.039(6) 0.033(6) 0.010(4) 0.000 0.005(3) 0.000 Se18 0.029(4) 0.023(5) 0.017(4) 0.000 0.003(3) 0.000 S18 0.029(4) 0.023(5) 0.017(4) 0.000 0.003(3) 0.000 Se19 0.040(5) 0.021(5) 0.018(4) 0.000 0.005(3) 0.000 S19 0.040(5) 0.021(5) 0.018(4) 0.000 0.005(3) 0.000 Se20 0.033(5) 0.023(5) 0.009(4) 0.000 0.003(3) 0.000 S20 0.033(5) 0.023(5) 0.009(4) 0.000 0.003(3) 0.000 S21 0.019(5) 0.019(5) 0.022(5) 0.000 0.005(4) 0.000 Se22 0.040(6) 0.031(6) 0.020(5) 0.000 0.010(4) 0.000 S22 0.040(6) 0.031(6) 0.020(5) 0.000 0.010(4) 0.000 Se23 0.020(5) 0.016(5) 0.006(4) 0.000 0.000(3) 0.000 S23 0.020(5) 0.016(5) 0.006(4) 0.000 0.000(3) 0.000 Se24 0.043(6) 0.027(6) 0.023(5) 0.000 0.009(4) 0.000 S24 0.043(6) 0.027(6) 0.023(5) 0.000 0.009(4) 0.000 _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Bi1 Se3 2.783(5) . ? Bi1 Se2 2.843(5) . ? Bi1 S2 2.843(5) 1_565 ? Bi1 Se2 2.843(5) 1_565 ? Bi1 S11 2.973(7) 1_565 ? Bi1 Se11 2.973(7) 1_565 ? Bi1 Se11 2.973(7) . ? Bi1 S12 3.062(9) . ? Pb2 S13 2.877(6) 1_545 ? Pb2 Se13 2.877(6) 1_545 ? Pb2 Se13 2.877(6) . ? Pb2 Se7 2.916(7) . ? Pb2 Se14 2.952(9) . ? Pb2 Se9 2.989(7) 5_565 ? Pb2 S9 2.989(7) 5_565 ? Pb2 Se9 2.989(7) 5 ? Pb2 S9 2.989(7) 5 ? Pb3 Se1 2.858(5) . ? Pb3 S1 2.858(5) 1_545 ? Pb3 Se1 2.858(5) 1_545 ? Pb3 Se2 2.859(5) . ? Pb3 Se10 2.9483(16) . ? Pb3 S12 2.970(7) 1_545 ? Pb3 S12 2.970(7) . ? Pb4 Se4 2.862(6) . ? Pb4 S3 2.910(5) 1_545 ? Pb4 Se3 2.910(5) 1_545 ? Pb4 Se3 2.910(5) . ? Pb4 S9 2.972(7) 1_545 ? Pb4 Se9 2.972(7) 1_545 ? Pb4 Se9 2.972(7) . ? Pb4 Se11 2.995(8) . ? Bi5 Se7 2.784(6) . ? Bi5 S7 2.784(6) 1_565 ? Bi5 Se7 2.784(6) 1_565 ? Bi5 Se6 2.854(5) . ? Bi5 S9 2.998(8) 5_565 ? Bi5 Se9 2.998(8) 5_565 ? Bi5 S11 3.026(7) 5_565 ? Bi5 Se11 3.026(7) 5_565 ? Bi5 Se11 3.026(7) 5 ? Bi5 S11 3.026(7) 5 ? Bi6 Se8 2.778(5) . ? Bi6 Se4 2.827(5) . ? Bi6 S4 2.827(5) 1_565 ? Bi6 Se4 2.827(5) 1_565 ? Bi6 S14 2.990(7) 5_565 ? Bi6 Se14 2.990(7) 5_565 ? Bi6 S14 2.990(7) 5 ? Bi6 Se14 2.990(7) 5 ? Bi6 Se9 3.050(8) . ? Pb7 S6 2.848(5) 1_545 ? Pb7 Se6 2.848(5) 1_545 ? Pb7 Se6 2.848(5) . ? Pb7 Se5 2.879(5) . ? Pb7 S11 2.962(8) 5 ? Pb7 Se11 2.962(8) 5 ? Pb7 S12 2.972(7) 5_565 ? Pb7 S12 2.972(7) 5 ? Pb8 Se13 2.813(7) . ? Pb8 S15 2.939(6) 3_444 ? Pb8 Se15 2.939(6) 3_444 ? Pb8 S15 2.939(6) 3_454 ? Pb8 Se15 2.939(6) 3_454 ? Pb8 Se14 2.943(7) . ? Pb8 Se14 2.943(7) 1_565 ? Pb8 S14 2.943(7) 1_565 ? Bi9 Se23 2.623(8) . ? Bi9 S8 2.879(5) 1_545 ? Bi9 Se8 2.879(5) 1_545 ? Bi9 Se8 2.879(5) . ? Bi9 S15 2.906(6) 1_545 ? Bi9 Se15 2.906(6) 1_545 ? Bi9 Se15 2.906(6) . ? Bi9 Se14 3.141(9) 5 ? Pb10 Se5 2.848(5) . ? Pb10 S5 2.848(5) 1_565 ? Pb10 Se5 2.848(5) 1_565 ? Pb10 Se1 2.894(5) . ? Pb10 S12 2.958(9) 5_565 ? Pb10 S10 3.028(4) 1_565 ? Pb10 Se10 3.028(4) 1_565 ? Pb10 Se10 3.028(4) . ? Bi11 S22 2.765(10) 7 ? Bi11 Se22 2.765(10) 7 ? Bi11 S20 2.973(6) 7 ? Bi11 Se20 2.973(6) 7 ? Bi11 Se20 2.973(6) 7_545 ? Bi11 S20 2.973(6) 7_545 ? Bi11 S22 3.034(7) 1_545 ? Bi11 Se22 3.034(7) 1_545 ? Bi11 Se22 3.034(7) . ? Pb12 S16 2.864(9) 7 ? Pb12 Se16 2.864(9) 7 ? Pb12 S21 2.942(7) 7 ? Pb12 S21 2.942(7) 7_545 ? Pb12 Se20 3.011(6) 7_545 ? Pb12 S20 3.011(6) 7_545 ? Pb12 S20 3.011(6) 7 ? Pb12 Se20 3.011(6) 7 ? Bi13 S24 2.712(7) 5 ? Bi13 Se24 2.712(7) 5 ? Bi13 S24 2.712(7) 5_565 ? Bi13 Se24 2.712(7) 5_565 ? Bi13 Se18 2.743(8) . ? Bi13 Se19 3.171(6) 1_565 ? Bi13 Se19 3.171(6) . ? Bi14 Se20 2.652(9) . ? Bi14 Se22 2.861(7) . ? Bi14 S22 2.861(7) 1_545 ? Bi14 Se22 2.861(7) 1_545 ? Bi14 S16 2.866(7) 1_545 ? Bi14 Se16 2.866(7) 1_545 ? Bi14 Se16 2.866(7) . ? Bi14 Se5 3.231(5) . ? Bi15 S21 2.764(10) . ? Bi15 Se16 2.985(7) . ? Bi15 S16 2.985(7) 1_545 ? Bi15 Se16 2.985(7) 1_545 ? Bi15 S17 3.018(6) 1_545 ? Bi15 Se17 3.018(6) 1_545 ? Bi15 Se17 3.018(6) . ? Bi16 Se19 2.706(9) . ? Bi16 Se18 2.847(6) . ? Bi16 S18 2.847(6) 1_545 ? Bi16 Se18 2.847(6) 1_545 ? Bi16 Se17 2.926(6) . ? Bi16 S17 2.926(6) 1_545 ? Bi16 Se17 2.926(6) 1_545 ? Bi16 Se7 3.072(7) . ? Bi17 S17 2.728(9) 7 ? Bi17 Se17 2.728(9) 7 ? Bi17 S19 2.881(6) 7 ? Bi17 Se19 2.881(6) 7 ? Bi17 S19 2.881(6) 7_545 ? Bi17 Se19 2.881(6) 7_545 ? Bi17 S21 2.908(7) 7_545 ? Bi17 S21 2.908(7) 7 ? Bi17 Se4 3.160(6) . ? Pb18 Se23 3.010(7) . ? Pb18 S23 3.010(7) 1_565 ? Pb18 Se23 3.010(7) 1_565 ? Pb18 Se15 3.151(9) . ? Pb18 Cu1 3.166(6) 7_556 ? Pb18 Se13 3.168(6) 3_546 ? Pb18 Se13 3.168(6) 3_556 ? Pb18 Se24 3.248(11) 7_556 ? Pb18 Se18 3.265(6) 3_556 ? Pb18 Se18 3.265(6) 3_546 ? Cu1 S24 2.267(11) 5_556 ? Cu1 Se24 2.267(11) 5_556 ? Cu1 S23 2.386(7) 7_556 ? Cu1 Se23 2.386(7) 7_556 ? Cu1 S23 2.386(7) 7_546 ? Cu1 Se23 2.386(7) 7_546 ? Cu1 Se24 2.443(11) . ? Cu1 Cu1 2.751(13) 5_556 ? Cu1 Pb18 3.166(6) 7_556 ? Se1 Pb3 2.858(5) 1_565 ? Se2 Bi1 2.843(5) 1_545 ? Se3 Pb4 2.910(5) 1_565 ? Se4 Bi6 2.827(5) 1_545 ? Se5 Pb10 2.848(5) 1_545 ? Se6 Pb7 2.848(5) 1_565 ? Se7 Bi5 2.784(6) 1_545 ? Se8 Bi9 2.879(5) 1_565 ? Se9 Pb4 2.972(7) 1_565 ? Se9 Pb2 2.989(7) 5_565 ? Se9 Pb2 2.989(7) 5 ? Se9 Bi5 2.998(8) 5_565 ? Se10 Pb3 2.9483(16) 5 ? Se10 Pb10 3.028(4) 5_565 ? Se10 Pb10 3.028(4) 5 ? Se10 Pb10 3.028(4) 1_545 ? Se11 Pb7 2.962(8) 5 ? Se11 Bi1 2.973(7) 1_545 ? Se11 Bi5 3.026(7) 5_565 ? Se11 Bi5 3.026(7) 5 ? S12 Pb10 2.958(9) 5_565 ? S12 Pb3 2.970(7) 1_565 ? S12 Pb7 2.972(7) 5_565 ? S12 Pb7 2.972(7) 5 ? Se13 Pb2 2.877(6) 1_565 ? Se13 Pb18 3.168(6) 3_454 ? Se13 Pb18 3.168(6) 3_444 ? Se14 Pb8 2.943(7) 1_545 ? Se14 Bi6 2.990(7) 5_565 ? Se14 Bi6 2.990(7) 5 ? Se14 Bi9 3.141(9) 5 ? Se15 Bi9 2.906(6) 1_565 ? Se15 Pb8 2.939(6) 3_556 ? Se15 Pb8 2.939(6) 3_546 ? Se16 Pb12 2.864(9) 7 ? Se16 Bi14 2.866(7) 1_565 ? Se16 Bi15 2.985(7) 1_565 ? Se17 Bi17 2.728(9) 7 ? Se17 Bi16 2.926(6) 1_565 ? Se17 Bi15 3.018(6) 1_565 ? Se18 Bi16 2.847(6) 1_565 ? Se18 Pb18 3.265(6) 3_444 ? Se18 Pb18 3.265(6) 3_454 ? Se19 Bi17 2.881(6) 7 ? Se19 Bi17 2.881(6) 7_545 ? Se19 Bi13 3.171(6) 1_545 ? Se20 Bi11 2.973(6) 7 ? Se20 Bi11 2.973(6) 7_545 ? Se20 Pb12 3.011(6) 7_545 ? Se20 Pb12 3.011(6) 7 ? S21 Bi17 2.908(7) 7_545 ? S21 Bi17 2.908(7) 7 ? S21 Pb12 2.942(7) 7 ? S21 Pb12 2.942(7) 7_545 ? Se22 Bi11 2.765(10) 7 ? Se22 Bi14 2.861(7) 1_565 ? Se22 Bi11 3.034(7) 1_565 ? Se23 Cu1 2.386(7) 7_556 ? Se23 Cu1 2.386(7) 7_546 ? Se23 Pb18 3.010(7) 1_545 ? Se24 Cu1 2.267(11) 5_556 ? Se24 Bi13 2.712(7) 5 ? Se24 Bi13 2.712(7) 5_565 ? Se24 Pb18 3.248(11) 7_556 ? 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 Se3 Bi1 Se2 90.97(12) . . ? Se3 Bi1 S2 90.97(12) . 1_565 ? Se2 Bi1 S2 92.3(2) . 1_565 ? Se3 Bi1 Se2 90.97(12) . 1_565 ? Se2 Bi1 Se2 92.3(2) . 1_565 ? S2 Bi1 Se2 0.00(19) 1_565 1_565 ? Se3 Bi1 S11 92.88(17) . 1_565 ? Se2 Bi1 S11 175.42(18) . 1_565 ? S2 Bi1 S11 90.12(19) 1_565 1_565 ? Se2 Bi1 S11 90.12(19) 1_565 1_565 ? Se3 Bi1 Se11 92.88(17) . 1_565 ? Se2 Bi1 Se11 175.42(18) . 1_565 ? S2 Bi1 Se11 90.12(19) 1_565 1_565 ? Se2 Bi1 Se11 90.12(19) 1_565 1_565 ? S11 Bi1 Se11 0.0(3) 1_565 1_565 ? Se3 Bi1 Se11 92.88(17) . . ? Se2 Bi1 Se11 90.12(19) . . ? S2 Bi1 Se11 175.42(18) 1_565 . ? Se2 Bi1 Se11 175.42(18) 1_565 . ? S11 Bi1 Se11 87.2(3) 1_565 . ? Se11 Bi1 Se11 87.2(3) 1_565 . ? Se3 Bi1 S12 178.5(2) . . ? Se2 Bi1 S12 90.09(15) . . ? S2 Bi1 S12 90.09(15) 1_565 . ? Se2 Bi1 S12 90.09(15) 1_565 . ? S11 Bi1 S12 86.0(2) 1_565 . ? Se11 Bi1 S12 86.0(2) 1_565 . ? Se11 Bi1 S12 86.0(2) . . ? S13 Pb2 Se13 0.0(3) 1_545 1_545 ? S13 Pb2 Se13 90.9(2) 1_545 . ? Se13 Pb2 Se13 90.9(2) 1_545 . ? S13 Pb2 Se7 94.52(17) 1_545 . ? Se13 Pb2 Se7 94.52(17) 1_545 . ? Se13 Pb2 Se7 94.52(17) . . ? S13 Pb2 Se14 88.99(18) 1_545 . ? Se13 Pb2 Se14 88.99(18) 1_545 . ? Se13 Pb2 Se14 88.99(18) . . ? Se7 Pb2 Se14 175.0(2) . . ? S13 Pb2 Se9 176.45(19) 1_545 5_565 ? Se13 Pb2 Se9 176.45(19) 1_545 5_565 ? Se13 Pb2 Se9 91.2(2) . 5_565 ? Se7 Pb2 Se9 88.19(17) . 5_565 ? Se14 Pb2 Se9 88.2(2) . 5_565 ? S13 Pb2 S9 176.45(19) 1_545 5_565 ? Se13 Pb2 S9 176.45(19) 1_545 5_565 ? Se13 Pb2 S9 91.2(2) . 5_565 ? Se7 Pb2 S9 88.19(17) . 5_565 ? Se14 Pb2 S9 88.2(2) . 5_565 ? Se9 Pb2 S9 0.0(2) 5_565 5_565 ? S13 Pb2 Se9 91.2(2) 1_545 5 ? Se13 Pb2 Se9 91.2(2) 1_545 5 ? Se13 Pb2 Se9 176.45(19) . 5 ? Se7 Pb2 Se9 88.19(17) . 5 ? Se14 Pb2 Se9 88.2(2) . 5 ? Se9 Pb2 Se9 86.6(3) 5_565 5 ? S9 Pb2 Se9 86.6(3) 5_565 5 ? S13 Pb2 S9 91.2(2) 1_545 5 ? Se13 Pb2 S9 91.2(2) 1_545 5 ? Se13 Pb2 S9 176.45(19) . 5 ? Se7 Pb2 S9 88.19(17) . 5 ? Se14 Pb2 S9 88.2(2) . 5 ? Se9 Pb2 S9 86.6(3) 5_565 5 ? S9 Pb2 S9 86.6(3) 5_565 5 ? Se9 Pb2 S9 0.0(3) 5 5 ? Se1 Pb3 S1 91.66(19) . 1_545 ? Se1 Pb3 Se1 91.66(19) . 1_545 ? S1 Pb3 Se1 0.00(18) 1_545 1_545 ? Se1 Pb3 Se2 89.28(12) . . ? S1 Pb3 Se2 89.28(12) 1_545 . ? Se1 Pb3 Se2 89.28(12) 1_545 . ? Se1 Pb3 Se10 92.20(9) . . ? S1 Pb3 Se10 92.20(9) 1_545 . ? Se1 Pb3 Se10 92.20(9) 1_545 . ? Se2 Pb3 Se10 177.88(11) . . ? Se1 Pb3 S12 177.65(15) . 1_545 ? S1 Pb3 S12 90.52(19) 1_545 1_545 ? Se1 Pb3 S12 90.52(19) 1_545 1_545 ? Se2 Pb3 S12 91.65(18) . 1_545 ? Se10 Pb3 S12 86.82(17) . 1_545 ? Se1 Pb3 S12 90.52(19) . . ? S1 Pb3 S12 177.65(15) 1_545 . ? Se1 Pb3 S12 177.65(15) 1_545 . ? Se2 Pb3 S12 91.65(18) . . ? Se10 Pb3 S12 86.82(17) . . ? S12 Pb3 S12 87.3(3) 1_545 . ? Se4 Pb4 S3 92.42(13) . 1_545 ? Se4 Pb4 Se3 92.42(13) . 1_545 ? S3 Pb4 Se3 0.00(18) 1_545 1_545 ? Se4 Pb4 Se3 92.42(13) . . ? S3 Pb4 Se3 89.56(19) 1_545 . ? Se3 Pb4 Se3 89.56(19) 1_545 . ? Se4 Pb4 S9 90.58(17) . 1_545 ? S3 Pb4 S9 91.53(19) 1_545 1_545 ? Se3 Pb4 S9 91.53(19) 1_545 1_545 ? Se3 Pb4 S9 176.76(18) . 1_545 ? Se4 Pb4 Se9 90.58(17) . 1_545 ? S3 Pb4 Se9 91.53(19) 1_545 1_545 ? Se3 Pb4 Se9 91.53(19) 1_545 1_545 ? Se3 Pb4 Se9 176.76(18) . 1_545 ? S9 Pb4 Se9 0.0(3) 1_545 1_545 ? Se4 Pb4 Se9 90.58(17) . . ? S3 Pb4 Se9 176.76(18) 1_545 . ? Se3 Pb4 Se9 176.76(18) 1_545 . ? Se3 Pb4 Se9 91.53(19) . . ? S9 Pb4 Se9 87.2(3) 1_545 . ? Se9 Pb4 Se9 87.2(3) 1_545 . ? Se4 Pb4 Se11 176.7(2) . . ? S3 Pb4 Se11 89.91(14) 1_545 . ? Se3 Pb4 Se11 89.91(14) 1_545 . ? Se3 Pb4 Se11 89.91(14) . . ? S9 Pb4 Se11 87.04(19) 1_545 . ? Se9 Pb4 Se11 87.04(19) 1_545 . ? Se9 Pb4 Se11 87.04(19) . . ? Se7 Bi5 S7 94.9(2) . 1_565 ? Se7 Bi5 Se7 94.9(2) . 1_565 ? S7 Bi5 Se7 0.0(3) 1_565 1_565 ? Se7 Bi5 Se6 93.72(15) . . ? S7 Bi5 Se6 93.72(16) 1_565 . ? Se7 Bi5 Se6 93.72(16) 1_565 . ? Se7 Bi5 S9 90.51(17) . 5_565 ? S7 Bi5 S9 90.51(17) 1_565 5_565 ? Se7 Bi5 S9 90.51(17) 1_565 5_565 ? Se6 Bi5 S9 173.75(19) . 5_565 ? Se7 Bi5 Se9 90.51(17) . 5_565 ? S7 Bi5 Se9 90.51(17) 1_565 5_565 ? Se7 Bi5 Se9 90.51(17) 1_565 5_565 ? Se6 Bi5 Se9 173.75(19) . 5_565 ? S9 Bi5 Se9 0.0(4) 5_565 5_565 ? Se7 Bi5 S11 174.19(18) . 5_565 ? S7 Bi5 S11 89.8(2) 1_565 5_565 ? Se7 Bi5 S11 89.8(2) 1_565 5_565 ? Se6 Bi5 S11 89.38(17) . 5_565 ? S9 Bi5 S11 86.02(19) 5_565 5_565 ? Se9 Bi5 S11 86.02(19) 5_565 5_565 ? Se7 Bi5 Se11 174.19(18) . 5_565 ? S7 Bi5 Se11 89.8(2) 1_565 5_565 ? Se7 Bi5 Se11 89.8(2) 1_565 5_565 ? Se6 Bi5 Se11 89.38(17) . 5_565 ? S9 Bi5 Se11 86.02(19) 5_565 5_565 ? Se9 Bi5 Se11 86.02(19) 5_565 5_565 ? S11 Bi5 Se11 0.0(3) 5_565 5_565 ? Se7 Bi5 Se11 89.8(2) . 5 ? S7 Bi5 Se11 174.19(18) 1_565 5 ? Se7 Bi5 Se11 174.19(18) 1_565 5 ? Se6 Bi5 Se11 89.38(17) . 5 ? S9 Bi5 Se11 86.02(19) 5_565 5 ? Se9 Bi5 Se11 86.02(19) 5_565 5 ? S11 Bi5 Se11 85.3(2) 5_565 5 ? Se11 Bi5 Se11 85.3(2) 5_565 5 ? Se7 Bi5 S11 89.8(2) . 5 ? S7 Bi5 S11 174.19(18) 1_565 5 ? Se7 Bi5 S11 174.19(18) 1_565 5 ? Se6 Bi5 S11 89.38(17) . 5 ? S9 Bi5 S11 86.02(19) 5_565 5 ? Se9 Bi5 S11 86.02(19) 5_565 5 ? S11 Bi5 S11 85.3(2) 5_565 5 ? Se11 Bi5 S11 85.3(2) 5_565 5 ? Se11 Bi5 S11 0.0(3) 5 5 ? Se8 Bi6 Se4 91.38(13) . . ? Se8 Bi6 S4 91.38(13) . 1_565 ? Se4 Bi6 S4 93.0(2) . 1_565 ? Se8 Bi6 Se4 91.38(13) . 1_565 ? Se4 Bi6 Se4 93.0(2) . 1_565 ? S4 Bi6 Se4 0.00(17) 1_565 1_565 ? Se8 Bi6 S14 92.56(19) . 5_565 ? Se4 Bi6 S14 175.0(2) . 5_565 ? S4 Bi6 S14 90.1(2) 1_565 5_565 ? Se4 Bi6 S14 90.1(2) 1_565 5_565 ? Se8 Bi6 Se14 92.56(19) . 5_565 ? Se4 Bi6 Se14 175.0(2) . 5_565 ? S4 Bi6 Se14 90.1(2) 1_565 5_565 ? Se4 Bi6 Se14 90.1(2) 1_565 5_565 ? S14 Bi6 Se14 0.0(4) 5_565 5_565 ? Se8 Bi6 S14 92.56(19) . 5 ? Se4 Bi6 S14 90.1(2) . 5 ? S4 Bi6 S14 175.0(2) 1_565 5 ? Se4 Bi6 S14 175.0(2) 1_565 5 ? S14 Bi6 S14 86.6(3) 5_565 5 ? Se14 Bi6 S14 86.6(3) 5_565 5 ? Se8 Bi6 Se14 92.56(19) . 5 ? Se4 Bi6 Se14 90.1(2) . 5 ? S4 Bi6 Se14 175.0(2) 1_565 5 ? Se4 Bi6 Se14 175.0(2) 1_565 5 ? S14 Bi6 Se14 86.6(3) 5_565 5 ? Se14 Bi6 Se14 86.6(3) 5_565 5 ? S14 Bi6 Se14 0.0(3) 5 5 ? Se8 Bi6 Se9 178.48(19) . . ? Se4 Bi6 Se9 89.67(15) . . ? S4 Bi6 Se9 89.67(15) 1_565 . ? Se4 Bi6 Se9 89.67(15) 1_565 . ? S14 Bi6 Se9 86.3(2) 5_565 . ? Se14 Bi6 Se9 86.3(2) 5_565 . ? S14 Bi6 Se9 86.3(2) 5 . ? Se14 Bi6 Se9 86.3(2) 5 . ? S6 Pb7 Se6 0.0(2) 1_545 1_545 ? S6 Pb7 Se6 92.1(2) 1_545 . ? Se6 Pb7 Se6 92.1(2) 1_545 . ? S6 Pb7 Se5 91.52(13) 1_545 . ? Se6 Pb7 Se5 91.52(13) 1_545 . ? Se6 Pb7 Se5 91.52(13) . . ? S6 Pb7 S11 90.79(15) 1_545 5 ? Se6 Pb7 S11 90.79(15) 1_545 5 ? Se6 Pb7 S11 90.79(15) . 5 ? Se5 Pb7 S11 176.68(19) . 5 ? S6 Pb7 Se11 90.79(15) 1_545 5 ? Se6 Pb7 Se11 90.79(15) 1_545 5 ? Se6 Pb7 Se11 90.79(15) . 5 ? Se5 Pb7 Se11 176.68(19) . 5 ? S11 Pb7 Se11 0.0(4) 5 5 ? S6 Pb7 S12 177.24(16) 1_545 5_565 ? Se6 Pb7 S12 177.24(16) 1_545 5_565 ? Se6 Pb7 S12 90.3(2) . 5_565 ? Se5 Pb7 S12 89.75(18) . 5_565 ? S11 Pb7 S12 87.8(2) 5 5_565 ? Se11 Pb7 S12 87.8(2) 5 5_565 ? S6 Pb7 S12 90.3(2) 1_545 5 ? Se6 Pb7 S12 90.3(2) 1_545 5 ? Se6 Pb7 S12 177.24(16) . 5 ? Se5 Pb7 S12 89.75(18) . 5 ? S11 Pb7 S12 87.8(2) 5 5 ? Se11 Pb7 S12 87.8(2) 5 5 ? S12 Pb7 S12 87.2(3) 5_565 5 ? Se13 Pb8 S15 86.59(19) . 3_444 ? Se13 Pb8 Se15 86.59(19) . 3_444 ? S15 Pb8 Se15 0.0(3) 3_444 3_444 ? Se13 Pb8 S15 86.59(19) . 3_454 ? S15 Pb8 S15 88.5(2) 3_444 3_454 ? Se15 Pb8 S15 88.5(2) 3_444 3_454 ? Se13 Pb8 Se15 86.59(19) . 3_454 ? S15 Pb8 Se15 88.5(2) 3_444 3_454 ? Se15 Pb8 Se15 88.5(2) 3_444 3_454 ? S15 Pb8 Se15 0.0(3) 3_454 3_454 ? Se13 Pb8 Se14 90.4(2) . . ? S15 Pb8 Se14 91.5(2) 3_444 . ? Se15 Pb8 Se14 91.5(2) 3_444 . ? S15 Pb8 Se14 177.0(2) 3_454 . ? Se15 Pb8 Se14 177.0(2) 3_454 . ? Se13 Pb8 Se14 90.4(2) . 1_565 ? S15 Pb8 Se14 177.0(2) 3_444 1_565 ? Se15 Pb8 Se14 177.0(2) 3_444 1_565 ? S15 Pb8 Se14 91.5(2) 3_454 1_565 ? Se15 Pb8 Se14 91.5(2) 3_454 1_565 ? Se14 Pb8 Se14 88.3(3) . 1_565 ? Se13 Pb8 S14 90.4(2) . 1_565 ? S15 Pb8 S14 177.0(2) 3_444 1_565 ? Se15 Pb8 S14 177.0(2) 3_444 1_565 ? S15 Pb8 S14 91.5(2) 3_454 1_565 ? Se15 Pb8 S14 91.5(2) 3_454 1_565 ? Se14 Pb8 S14 88.3(3) . 1_565 ? Se14 Pb8 S14 0.0(2) 1_565 1_565 ? Se23 Bi9 S8 90.20(16) . 1_545 ? Se23 Bi9 Se8 90.20(16) . 1_545 ? S8 Bi9 Se8 0.00(14) 1_545 1_545 ? Se23 Bi9 Se8 90.20(16) . . ? S8 Bi9 Se8 90.8(2) 1_545 . ? Se8 Bi9 Se8 90.8(2) 1_545 . ? Se23 Bi9 S15 90.5(2) . 1_545 ? S8 Bi9 S15 89.74(18) 1_545 1_545 ? Se8 Bi9 S15 89.74(18) 1_545 1_545 ? Se8 Bi9 S15 179.11(18) . 1_545 ? Se23 Bi9 Se15 90.5(2) . 1_545 ? S8 Bi9 Se15 89.74(18) 1_545 1_545 ? Se8 Bi9 Se15 89.74(18) 1_545 1_545 ? Se8 Bi9 Se15 179.11(18) . 1_545 ? S15 Bi9 Se15 0.0(3) 1_545 1_545 ? Se23 Bi9 Se15 90.5(2) . . ? S8 Bi9 Se15 179.11(18) 1_545 . ? Se8 Bi9 Se15 179.11(18) 1_545 . ? Se8 Bi9 Se15 89.74(18) . . ? S15 Bi9 Se15 89.7(2) 1_545 . ? Se15 Bi9 Se15 89.7(2) 1_545 . ? Se23 Bi9 Se14 176.9(2) . 5 ? S8 Bi9 Se14 87.61(15) 1_545 5 ? Se8 Bi9 Se14 87.61(15) 1_545 5 ? Se8 Bi9 Se14 87.61(15) . 5 ? S15 Bi9 Se14 91.7(2) 1_545 5 ? Se15 Bi9 Se14 91.7(2) 1_545 5 ? Se15 Bi9 Se14 91.7(2) . 5 ? Se5 Pb10 S5 92.1(2) . 1_565 ? Se5 Pb10 Se5 92.1(2) . 1_565 ? S5 Pb10 Se5 0.0(2) 1_565 1_565 ? Se5 Pb10 Se1 93.60(12) . . ? S5 Pb10 Se1 93.60(12) 1_565 . ? Se5 Pb10 Se1 93.60(12) 1_565 . ? Se5 Pb10 S12 90.65(15) . 5_565 ? S5 Pb10 S12 90.65(15) 1_565 5_565 ? Se5 Pb10 S12 90.65(15) 1_565 5_565 ? Se1 Pb10 S12 173.87(19) . 5_565 ? Se5 Pb10 S10 175.03(10) . 1_565 ? S5 Pb10 S10 91.22(16) 1_565 1_565 ? Se5 Pb10 S10 91.22(16) 1_565 1_565 ? Se1 Pb10 S10 89.88(7) . 1_565 ? S12 Pb10 S10 85.61(13) 5_565 1_565 ? Se5 Pb10 Se10 175.03(10) . 1_565 ? S5 Pb10 Se10 91.22(16) 1_565 1_565 ? Se5 Pb10 Se10 91.22(16) 1_565 1_565 ? Se1 Pb10 Se10 89.88(7) . 1_565 ? S12 Pb10 Se10 85.61(13) 5_565 1_565 ? S10 Pb10 Se10 0.0 1_565 1_565 ? Se5 Pb10 Se10 91.22(16) . . ? S5 Pb10 Se10 175.03(10) 1_565 . ? Se5 Pb10 Se10 175.03(10) 1_565 . ? Se1 Pb10 Se10 89.88(7) . . ? S12 Pb10 Se10 85.61(13) 5_565 . ? S10 Pb10 Se10 85.23(15) 1_565 . ? Se10 Pb10 Se10 85.23(15) 1_565 . ? S22 Bi11 Se22 0.0(3) 7 7 ? S22 Bi11 S20 82.0(2) 7 7 ? Se22 Bi11 S20 82.0(2) 7 7 ? S22 Bi11 Se20 82.0(2) 7 7 ? Se22 Bi11 Se20 82.0(2) 7 7 ? S20 Bi11 Se20 0.0(5) 7 7 ? S22 Bi11 Se20 82.0(2) 7 7_545 ? Se22 Bi11 Se20 82.0(2) 7 7_545 ? S20 Bi11 Se20 87.2(2) 7 7_545 ? Se20 Bi11 Se20 87.2(2) 7 7_545 ? S22 Bi11 S20 82.0(2) 7 7_545 ? Se22 Bi11 S20 82.0(2) 7 7_545 ? S20 Bi11 S20 87.2(2) 7 7_545 ? Se20 Bi11 S20 87.2(2) 7 7_545 ? Se20 Bi11 S20 0.0(5) 7_545 7_545 ? S22 Bi11 S22 77.1(2) 7 1_545 ? Se22 Bi11 S22 77.1(2) 7 1_545 ? S20 Bi11 S22 159.1(3) 7 1_545 ? Se20 Bi11 S22 159.1(3) 7 1_545 ? Se20 Bi11 S22 90.1(2) 7_545 1_545 ? S20 Bi11 S22 90.1(2) 7_545 1_545 ? S22 Bi11 Se22 77.1(2) 7 1_545 ? Se22 Bi11 Se22 77.1(2) 7 1_545 ? S20 Bi11 Se22 159.1(3) 7 1_545 ? Se20 Bi11 Se22 159.1(3) 7 1_545 ? Se20 Bi11 Se22 90.1(2) 7_545 1_545 ? S20 Bi11 Se22 90.1(2) 7_545 1_545 ? S22 Bi11 Se22 0.0(4) 1_545 1_545 ? S22 Bi11 Se22 77.1(2) 7 . ? Se22 Bi11 Se22 77.1(2) 7 . ? S20 Bi11 Se22 90.1(2) 7 . ? Se20 Bi11 Se22 90.1(2) 7 . ? Se20 Bi11 Se22 159.1(3) 7_545 . ? S20 Bi11 Se22 159.1(3) 7_545 . ? S22 Bi11 Se22 85.0(3) 1_545 . ? Se22 Bi11 Se22 85.0(3) 1_545 . ? S16 Pb12 Se16 0.0(3) 7 7 ? S16 Pb12 S21 78.8(2) 7 7 ? Se16 Pb12 S21 78.8(2) 7 7 ? S16 Pb12 S21 78.8(2) 7 7_545 ? Se16 Pb12 S21 78.8(2) 7 7_545 ? S21 Pb12 S21 88.4(3) 7 7_545 ? S16 Pb12 Se20 81.3(2) 7 7_545 ? Se16 Pb12 Se20 81.3(2) 7 7_545 ? S21 Pb12 Se20 160.0(3) 7 7_545 ? S21 Pb12 Se20 89.5(2) 7_545 7_545 ? S16 Pb12 S20 81.3(2) 7 7_545 ? Se16 Pb12 S20 81.3(2) 7 7_545 ? S21 Pb12 S20 160.0(3) 7 7_545 ? S21 Pb12 S20 89.5(2) 7_545 7_545 ? Se20 Pb12 S20 0.0(4) 7_545 7_545 ? S16 Pb12 S20 81.3(2) 7 7 ? Se16 Pb12 S20 81.3(2) 7 7 ? S21 Pb12 S20 89.5(2) 7 7 ? S21 Pb12 S20 160.0(3) 7_545 7 ? Se20 Pb12 S20 85.8(2) 7_545 7 ? S20 Pb12 S20 85.8(2) 7_545 7 ? S16 Pb12 Se20 81.3(2) 7 7 ? Se16 Pb12 Se20 81.3(2) 7 7 ? S21 Pb12 Se20 89.5(2) 7 7 ? S21 Pb12 Se20 160.0(3) 7_545 7 ? Se20 Pb12 Se20 85.8(2) 7_545 7 ? S20 Pb12 Se20 85.8(2) 7_545 7 ? S20 Pb12 Se20 0.0(4) 7 7 ? S24 Bi13 Se24 0.0(4) 5 5 ? S24 Bi13 S24 98.2(3) 5 5_565 ? Se24 Bi13 S24 98.2(3) 5 5_565 ? S24 Bi13 Se24 98.2(3) 5 5_565 ? Se24 Bi13 Se24 98.2(3) 5 5_565 ? S24 Bi13 Se24 0.0(4) 5_565 5_565 ? S24 Bi13 Se18 83.6(2) 5 . ? Se24 Bi13 Se18 83.6(2) 5 . ? S24 Bi13 Se18 83.6(2) 5_565 . ? Se24 Bi13 Se18 83.6(2) 5_565 . ? S24 Bi13 Se19 163.1(3) 5 1_565 ? Se24 Bi13 Se19 163.1(3) 5 1_565 ? S24 Bi13 Se19 88.8(2) 5_565 1_565 ? Se24 Bi13 Se19 88.8(2) 5_565 1_565 ? Se18 Bi13 Se19 81.96(19) . 1_565 ? S24 Bi13 Se19 88.8(2) 5 . ? Se24 Bi13 Se19 88.8(2) 5 . ? S24 Bi13 Se19 163.1(3) 5_565 . ? Se24 Bi13 Se19 163.1(3) 5_565 . ? Se18 Bi13 Se19 81.96(19) . . ? Se19 Bi13 Se19 80.6(2) 1_565 . ? Se20 Bi14 Se22 86.1(2) . . ? Se20 Bi14 S22 86.1(2) . 1_545 ? Se22 Bi14 S22 91.5(3) . 1_545 ? Se20 Bi14 Se22 86.1(2) . 1_545 ? Se22 Bi14 Se22 91.5(3) . 1_545 ? S22 Bi14 Se22 0.0(5) 1_545 1_545 ? Se20 Bi14 S16 87.8(2) . 1_545 ? Se22 Bi14 S16 173.9(3) . 1_545 ? S22 Bi14 S16 88.2(2) 1_545 1_545 ? Se22 Bi14 S16 88.2(2) 1_545 1_545 ? Se20 Bi14 Se16 87.8(2) . 1_545 ? Se22 Bi14 Se16 173.9(3) . 1_545 ? S22 Bi14 Se16 88.2(2) 1_545 1_545 ? Se22 Bi14 Se16 88.2(2) 1_545 1_545 ? S16 Bi14 Se16 0.0(3) 1_545 1_545 ? Se20 Bi14 Se16 87.8(2) . . ? Se22 Bi14 Se16 88.2(2) . . ? S22 Bi14 Se16 173.9(3) 1_545 . ? Se22 Bi14 Se16 173.9(3) 1_545 . ? S16 Bi14 Se16 91.3(3) 1_545 . ? Se16 Bi14 Se16 91.3(3) 1_545 . ? Se20 Bi14 Se5 165.41(18) . . ? Se22 Bi14 Se5 103.9(2) . . ? S22 Bi14 Se5 103.9(2) 1_545 . ? Se22 Bi14 Se5 103.9(2) 1_545 . ? S16 Bi14 Se5 82.06(19) 1_545 . ? Se16 Bi14 Se5 82.06(19) 1_545 . ? Se16 Bi14 Se5 82.06(19) . . ? S21 Bi15 Se16 79.7(2) . . ? S21 Bi15 S16 79.7(2) . 1_545 ? Se16 Bi15 S16 86.7(3) . 1_545 ? S21 Bi15 Se16 79.7(2) . 1_545 ? Se16 Bi15 Se16 86.7(3) . 1_545 ? S16 Bi15 Se16 0.0(5) 1_545 1_545 ? S21 Bi15 S17 81.3(2) . 1_545 ? Se16 Bi15 S17 160.9(3) . 1_545 ? S16 Bi15 S17 90.7(2) 1_545 1_545 ? Se16 Bi15 S17 90.7(2) 1_545 1_545 ? S21 Bi15 Se17 81.3(2) . 1_545 ? Se16 Bi15 Se17 160.9(3) . 1_545 ? S16 Bi15 Se17 90.7(2) 1_545 1_545 ? Se16 Bi15 Se17 90.7(2) 1_545 1_545 ? S17 Bi15 Se17 0.0(2) 1_545 1_545 ? S21 Bi15 Se17 81.3(2) . . ? Se16 Bi15 Se17 90.7(2) . . ? S16 Bi15 Se17 160.9(3) 1_545 . ? Se16 Bi15 Se17 160.9(3) 1_545 . ? S17 Bi15 Se17 85.6(2) 1_545 . ? Se17 Bi15 Se17 85.6(2) 1_545 . ? Se19 Bi16 Se18 88.97(19) . . ? Se19 Bi16 S18 88.97(19) . 1_545 ? Se18 Bi16 S18 92.1(2) . 1_545 ? Se19 Bi16 Se18 88.97(19) . 1_545 ? Se18 Bi16 Se18 92.1(2) . 1_545 ? S18 Bi16 Se18 0.0(2) 1_545 1_545 ? Se19 Bi16 Se17 87.3(2) . . ? Se18 Bi16 Se17 89.33(19) . . ? S18 Bi16 Se17 175.9(2) 1_545 . ? Se18 Bi16 Se17 175.9(2) 1_545 . ? Se19 Bi16 S17 87.3(2) . 1_545 ? Se18 Bi16 S17 175.9(2) . 1_545 ? S18 Bi16 S17 89.33(19) 1_545 1_545 ? Se18 Bi16 S17 89.33(19) 1_545 1_545 ? Se17 Bi16 S17 89.0(2) . 1_545 ? Se19 Bi16 Se17 87.3(2) . 1_545 ? Se18 Bi16 Se17 175.9(2) . 1_545 ? S18 Bi16 Se17 89.33(19) 1_545 1_545 ? Se18 Bi16 Se17 89.33(19) 1_545 1_545 ? Se17 Bi16 Se17 89.0(2) . 1_545 ? S17 Bi16 Se17 0.0(5) 1_545 1_545 ? Se19 Bi16 Se7 169.5(2) . . ? Se18 Bi16 Se7 98.25(18) . . ? S18 Bi16 Se7 98.25(18) 1_545 . ? Se18 Bi16 Se7 98.25(18) 1_545 . ? Se17 Bi16 Se7 85.3(2) . . ? S17 Bi16 Se7 85.3(2) 1_545 . ? Se17 Bi16 Se7 85.3(2) 1_545 . ? S17 Bi17 Se17 0.0(3) 7 7 ? S17 Bi17 S19 87.7(2) 7 7 ? Se17 Bi17 S19 87.7(2) 7 7 ? S17 Bi17 Se19 87.7(2) 7 7 ? Se17 Bi17 Se19 87.7(2) 7 7 ? S19 Bi17 Se19 0.0(2) 7 7 ? S17 Bi17 S19 87.7(2) 7 7_545 ? Se17 Bi17 S19 87.7(2) 7 7_545 ? S19 Bi17 S19 90.7(3) 7 7_545 ? Se19 Bi17 S19 90.7(3) 7 7_545 ? S17 Bi17 Se19 87.7(2) 7 7_545 ? Se17 Bi17 Se19 87.7(2) 7 7_545 ? S19 Bi17 Se19 90.7(3) 7 7_545 ? Se19 Bi17 Se19 90.7(3) 7 7_545 ? S19 Bi17 Se19 0.0(2) 7_545 7_545 ? S17 Bi17 S21 83.9(2) 7 7_545 ? Se17 Bi17 S21 83.9(2) 7 7_545 ? S19 Bi17 S21 171.7(3) 7 7_545 ? Se19 Bi17 S21 171.7(3) 7 7_545 ? S19 Bi17 S21 89.2(2) 7_545 7_545 ? Se19 Bi17 S21 89.2(2) 7_545 7_545 ? S17 Bi17 S21 83.9(2) 7 7 ? Se17 Bi17 S21 83.9(2) 7 7 ? S19 Bi17 S21 89.2(2) 7 7 ? Se19 Bi17 S21 89.2(2) 7 7 ? S19 Bi17 S21 171.7(3) 7_545 7 ? Se19 Bi17 S21 171.7(3) 7_545 7 ? S21 Bi17 S21 89.6(3) 7_545 7 ? S17 Bi17 Se4 161.28(19) 7 . ? Se17 Bi17 Se4 161.28(19) 7 . ? S19 Bi17 Se4 79.18(19) 7 . ? Se19 Bi17 Se4 79.18(19) 7 . ? S19 Bi17 Se4 79.18(19) 7_545 . ? Se19 Bi17 Se4 79.18(19) 7_545 . ? S21 Bi17 Se4 109.0(2) 7_545 . ? S21 Bi17 Se4 109.0(2) 7 . ? Se23 Pb18 S23 85.9(2) . 1_565 ? Se23 Pb18 Se23 85.9(2) . 1_565 ? S23 Pb18 Se23 0.0(2) 1_565 1_565 ? Se23 Pb18 Se15 79.30(18) . . ? S23 Pb18 Se15 79.30(18) 1_565 . ? Se23 Pb18 Se15 79.30(18) 1_565 . ? Se23 Pb18 Cu1 45.37(14) . 7_556 ? S23 Pb18 Cu1 45.37(14) 1_565 7_556 ? Se23 Pb18 Cu1 45.37(14) 1_565 7_556 ? Se15 Pb18 Cu1 91.67(18) . 7_556 ? Se23 Pb18 Se13 92.02(19) . 3_546 ? S23 Pb18 Se13 156.5(2) 1_565 3_546 ? Se23 Pb18 Se13 156.5(2) 1_565 3_546 ? Se15 Pb18 Se13 77.29(16) . 3_546 ? Cu1 Pb18 Se13 137.39(11) 7_556 3_546 ? Se23 Pb18 Se13 156.5(2) . 3_556 ? S23 Pb18 Se13 92.02(19) 1_565 3_556 ? Se23 Pb18 Se13 92.02(19) 1_565 3_556 ? Se15 Pb18 Se13 77.29(16) . 3_556 ? Cu1 Pb18 Se13 137.39(11) 7_556 3_556 ? Se13 Pb18 Se13 80.7(2) 3_546 3_556 ? Se23 Pb18 Se24 69.29(19) . 7_556 ? S23 Pb18 Se24 69.29(19) 1_565 7_556 ? Se23 Pb18 Se24 69.29(19) 1_565 7_556 ? Se15 Pb18 Se24 136.4(2) . 7_556 ? Cu1 Pb18 Se24 44.8(2) 7_556 7_556 ? Se13 Pb18 Se24 131.49(15) 3_546 7_556 ? Se13 Pb18 Se24 131.49(15) 3_556 7_556 ? Se23 Pb18 Se18 136.9(2) . 3_556 ? S23 Pb18 Se18 82.85(19) 1_565 3_556 ? Se23 Pb18 Se18 82.85(19) 1_565 3_556 ? Se15 Pb18 Se18 137.95(13) . 3_556 ? Cu1 Pb18 Se18 102.21(17) 7_556 3_556 ? Se13 Pb18 Se18 113.55(18) 3_546 3_556 ? Se13 Pb18 Se18 65.59(18) 3_556 3_556 ? Se24 Pb18 Se18 67.84(18) 7_556 3_556 ? Se23 Pb18 Se18 82.85(19) . 3_546 ? S23 Pb18 Se18 136.9(2) 1_565 3_546 ? Se23 Pb18 Se18 136.9(2) 1_565 3_546 ? Se15 Pb18 Se18 137.95(13) . 3_546 ? Cu1 Pb18 Se18 102.21(17) 7_556 3_546 ? Se13 Pb18 Se18 65.59(18) 3_546 3_546 ? Se13 Pb18 Se18 113.55(18) 3_556 3_546 ? Se24 Pb18 Se18 67.84(18) 7_556 3_546 ? Se18 Pb18 Se18 77.8(2) 3_556 3_546 ? S24 Cu1 Se24 0.0(4) 5_556 5_556 ? S24 Cu1 S23 116.7(2) 5_556 7_556 ? Se24 Cu1 S23 116.7(2) 5_556 7_556 ? S24 Cu1 Se23 116.7(2) 5_556 7_556 ? Se24 Cu1 Se23 116.7(2) 5_556 7_556 ? S23 Cu1 Se23 0.0(4) 7_556 7_556 ? S24 Cu1 S23 116.7(2) 5_556 7_546 ? Se24 Cu1 S23 116.7(2) 5_556 7_546 ? S23 Cu1 S23 118.4(5) 7_556 7_546 ? Se23 Cu1 S23 118.4(5) 7_556 7_546 ? S24 Cu1 Se23 116.7(2) 5_556 7_546 ? Se24 Cu1 Se23 116.7(2) 5_556 7_546 ? S23 Cu1 Se23 118.4(5) 7_556 7_546 ? Se23 Cu1 Se23 118.4(5) 7_556 7_546 ? S23 Cu1 Se23 0.0(4) 7_546 7_546 ? S24 Cu1 Se24 108.6(4) 5_556 . ? Se24 Cu1 Se24 108.6(4) 5_556 . ? S23 Cu1 Se24 95.1(3) 7_556 . ? Se23 Cu1 Se24 95.1(3) 7_556 . ? S23 Cu1 Se24 95.1(3) 7_546 . ? Se23 Cu1 Se24 95.1(3) 7_546 . ? S24 Cu1 Cu1 57.3(3) 5_556 5_556 ? Se24 Cu1 Cu1 57.3(3) 5_556 5_556 ? S23 Cu1 Cu1 116.7(2) 7_556 5_556 ? Se23 Cu1 Cu1 116.7(2) 7_556 5_556 ? S23 Cu1 Cu1 116.7(2) 7_546 5_556 ? Se23 Cu1 Cu1 116.7(2) 7_546 5_556 ? Se24 Cu1 Cu1 51.3(3) . 5_556 ? S24 Cu1 Pb18 178.0(4) 5_556 7_556 ? Se24 Cu1 Pb18 178.0(4) 5_556 7_556 ? S23 Cu1 Pb18 63.9(2) 7_556 7_556 ? Se23 Cu1 Pb18 63.9(2) 7_556 7_556 ? S23 Cu1 Pb18 63.9(2) 7_546 7_556 ? Se23 Cu1 Pb18 63.9(2) 7_546 7_556 ? Se24 Cu1 Pb18 69.4(3) . 7_556 ? Cu1 Cu1 Pb18 120.8(3) 5_556 7_556 ? Pb3 Se1 Pb3 91.66(19) 1_565 . ? Pb3 Se1 Pb10 91.02(12) 1_565 . ? Pb3 Se1 Pb10 91.02(12) . . ? Bi1 Se2 Bi1 92.3(2) 1_545 . ? Bi1 Se2 Pb3 92.27(12) 1_545 . ? Bi1 Se2 Pb3 92.27(12) . . ? Bi1 Se3 Pb4 91.21(12) . 1_565 ? Bi1 Se3 Pb4 91.21(12) . . ? Pb4 Se3 Pb4 89.56(19) 1_565 . ? Bi6 Se4 Bi6 93.0(2) . 1_545 ? Bi6 Se4 Pb4 93.06(15) . . ? Bi6 Se4 Pb4 93.06(15) 1_545 . ? Bi6 Se4 Bi17 130.01(12) . . ? Bi6 Se4 Bi17 130.01(12) 1_545 . ? Pb4 Se4 Bi17 106.55(17) . . ? Pb10 Se5 Pb10 92.1(2) 1_545 . ? Pb10 Se5 Pb7 91.74(13) 1_545 . ? Pb10 Se5 Pb7 91.74(13) . . ? Pb10 Se5 Bi14 115.81(12) 1_545 . ? Pb10 Se5 Bi14 115.81(12) . . ? Pb7 Se5 Bi14 138.64(17) . . ? Pb7 Se6 Pb7 92.1(2) 1_565 . ? Pb7 Se6 Bi5 92.61(13) 1_565 . ? Pb7 Se6 Bi5 92.61(13) . . ? Bi5 Se7 Bi5 94.9(2) . 1_545 ? Bi5 Se7 Pb2 93.33(17) . . ? Bi5 Se7 Pb2 93.33(17) 1_545 . ? Bi5 Se7 Bi16 125.80(15) . . ? Bi5 Se7 Bi16 125.80(15) 1_545 . ? Pb2 Se7 Bi16 115.2(2) . . ? Bi6 Se8 Bi9 94.48(13) . 1_565 ? Bi6 Se8 Bi9 94.48(13) . . ? Bi9 Se8 Bi9 90.8(2) 1_565 . ? Pb4 Se9 Pb4 87.2(3) . 1_565 ? Pb4 Se9 Pb2 178.3(3) . 5_565 ? Pb4 Se9 Pb2 93.06(14) 1_565 5_565 ? Pb4 Se9 Pb2 93.06(14) . 5 ? Pb4 Se9 Pb2 178.3(3) 1_565 5 ? Pb2 Se9 Pb2 86.6(3) 5_565 5 ? Pb4 Se9 Bi5 93.98(18) . 5_565 ? Pb4 Se9 Bi5 93.98(18) 1_565 5_565 ? Pb2 Se9 Bi5 87.68(19) 5_565 5_565 ? Pb2 Se9 Bi5 87.68(19) 5 5_565 ? Pb4 Se9 Bi6 86.56(19) . . ? Pb4 Se9 Bi6 86.56(19) 1_565 . ? Pb2 Se9 Bi6 91.78(18) 5_565 . ? Pb2 Se9 Bi6 91.78(18) 5 . ? Bi5 Se9 Bi6 179.3(3) 5_565 . ? Pb3 Se10 Pb3 180.00(7) . 5 ? Pb3 Se10 Pb10 86.72(4) . . ? Pb3 Se10 Pb10 93.28(4) 5 . ? Pb3 Se10 Pb10 93.28(4) . 5_565 ? Pb3 Se10 Pb10 86.72(4) 5 5_565 ? Pb10 Se10 Pb10 94.77(15) . 5_565 ? Pb3 Se10 Pb10 93.28(4) . 5 ? Pb3 Se10 Pb10 86.72(4) 5 5 ? Pb10 Se10 Pb10 180.00(6) . 5 ? Pb10 Se10 Pb10 85.23(15) 5_565 5 ? Pb3 Se10 Pb10 86.72(4) . 1_545 ? Pb3 Se10 Pb10 93.28(4) 5 1_545 ? Pb10 Se10 Pb10 85.23(15) . 1_545 ? Pb10 Se10 Pb10 180.00(6) 5_565 1_545 ? Pb10 Se10 Pb10 94.77(15) 5 1_545 ? Pb7 Se11 Bi1 94.07(19) 5 . ? Pb7 Se11 Bi1 94.07(19) 5 1_545 ? Bi1 Se11 Bi1 87.2(3) . 1_545 ? Pb7 Se11 Pb4 179.9(3) 5 . ? Bi1 Se11 Pb4 86.0(2) . . ? Bi1 Se11 Pb4 86.0(2) 1_545 . ? Pb7 Se11 Bi5 87.0(2) 5 5_565 ? Bi1 Se11 Bi5 93.74(14) . 5_565 ? Bi1 Se11 Bi5 178.5(3) 1_545 5_565 ? Pb4 Se11 Bi5 92.94(19) . 5_565 ? Pb7 Se11 Bi5 87.0(2) 5 5 ? Bi1 Se11 Bi5 178.5(3) . 5 ? Bi1 Se11 Bi5 93.74(14) 1_545 5 ? Pb4 Se11 Bi5 92.94(19) . 5 ? Bi5 Se11 Bi5 85.3(2) 5_565 5 ? Pb10 S12 Pb3 94.3(2) 5_565 . ? Pb10 S12 Pb3 94.3(2) 5_565 1_565 ? Pb3 S12 Pb3 87.3(3) . 1_565 ? Pb10 S12 Pb7 87.8(2) 5_565 5_565 ? Pb3 S12 Pb7 178.0(3) . 5_565 ? Pb3 S12 Pb7 92.70(14) 1_565 5_565 ? Pb10 S12 Pb7 87.8(2) 5_565 5 ? Pb3 S12 Pb7 92.70(14) . 5 ? Pb3 S12 Pb7 178.0(3) 1_565 5 ? Pb7 S12 Pb7 87.2(3) 5_565 5 ? Pb10 S12 Bi1 179.8(3) 5_565 . ? Pb3 S12 Bi1 85.9(2) . . ? Pb3 S12 Bi1 85.9(2) 1_565 . ? Pb7 S12 Bi1 92.1(2) 5_565 . ? Pb7 S12 Bi1 92.1(2) 5 . ? Pb8 Se13 Pb2 92.32(17) . 1_565 ? Pb8 Se13 Pb2 92.32(17) . . ? Pb2 Se13 Pb2 90.9(2) 1_565 . ? Pb8 Se13 Pb18 99.10(16) . 3_454 ? Pb2 Se13 Pb18 93.13(14) 1_565 3_454 ? Pb2 Se13 Pb18 167.7(3) . 3_454 ? Pb8 Se13 Pb18 99.10(16) . 3_444 ? Pb2 Se13 Pb18 167.7(3) 1_565 3_444 ? Pb2 Se13 Pb18 93.13(14) . 3_444 ? Pb18 Se13 Pb18 80.7(2) 3_454 3_444 ? Pb8 Se14 Pb8 88.3(3) 1_545 . ? Pb8 Se14 Pb2 88.3(2) 1_545 . ? Pb8 Se14 Pb2 88.3(2) . . ? Pb8 Se14 Bi6 177.9(3) 1_545 5_565 ? Pb8 Se14 Bi6 92.53(14) . 5_565 ? Pb2 Se14 Bi6 93.7(2) . 5_565 ? Pb8 Se14 Bi6 92.53(14) 1_545 5 ? Pb8 Se14 Bi6 177.9(3) . 5 ? Pb2 Se14 Bi6 93.7(2) . 5 ? Bi6 Se14 Bi6 86.6(3) 5_565 5 ? Pb8 Se14 Bi9 92.73(19) 1_545 5 ? Pb8 Se14 Bi9 92.73(19) . 5 ? Pb2 Se14 Bi9 178.6(3) . 5 ? Bi6 Se14 Bi9 85.3(2) 5_565 5 ? Bi6 Se14 Bi9 85.3(2) 5 5 ? Bi9 Se15 Bi9 89.7(2) . 1_565 ? Bi9 Se15 Pb8 172.6(3) . 3_556 ? Bi9 Se15 Pb8 90.43(14) 1_565 3_556 ? Bi9 Se15 Pb8 90.43(14) . 3_546 ? Bi9 Se15 Pb8 172.6(3) 1_565 3_546 ? Pb8 Se15 Pb8 88.5(2) 3_556 3_546 ? Bi9 Se15 Pb18 90.6(2) . . ? Bi9 Se15 Pb18 90.6(2) 1_565 . ? Pb8 Se15 Pb18 96.83(19) 3_556 . ? Pb8 Se15 Pb18 96.83(19) 3_546 . ? Pb12 Se16 Bi14 94.8(2) 7 1_565 ? Pb12 Se16 Bi14 94.8(2) 7 . ? Bi14 Se16 Bi14 91.3(3) 1_565 . ? Pb12 Se16 Bi15 99.0(2) 7 . ? Bi14 Se16 Bi15 166.1(4) 1_565 . ? Bi14 Se16 Bi15 89.32(15) . . ? Pb12 Se16 Bi15 99.0(2) 7 1_565 ? Bi14 Se16 Bi15 89.32(15) 1_565 1_565 ? Bi14 Se16 Bi15 166.1(4) . 1_565 ? Bi15 Se16 Bi15 86.7(3) . 1_565 ? Bi17 Se17 Bi16 91.8(2) 7 . ? Bi17 Se17 Bi16 91.8(2) 7 1_565 ? Bi16 Se17 Bi16 89.0(2) . 1_565 ? Bi17 Se17 Bi15 96.5(2) 7 1_565 ? Bi16 Se17 Bi15 171.7(3) . 1_565 ? Bi16 Se17 Bi15 92.15(14) 1_565 1_565 ? Bi17 Se17 Bi15 96.5(2) 7 . ? Bi16 Se17 Bi15 92.15(14) . . ? Bi16 Se17 Bi15 171.7(3) 1_565 . ? Bi15 Se17 Bi15 85.6(2) 1_565 . ? Bi13 Se18 Bi16 97.47(19) . 1_565 ? Bi13 Se18 Bi16 97.47(19) . . ? Bi16 Se18 Bi16 92.1(2) 1_565 . ? Bi13 Se18 Pb18 103.05(19) . 3_444 ? Bi16 Se18 Pb18 158.5(3) 1_565 3_444 ? Bi16 Se18 Pb18 91.50(15) . 3_444 ? Bi13 Se18 Pb18 103.05(19) . 3_454 ? Bi16 Se18 Pb18 91.50(15) 1_565 3_454 ? Bi16 Se18 Pb18 158.5(3) . 3_454 ? Pb18 Se18 Pb18 77.8(2) 3_444 3_454 ? Bi16 Se19 Bi17 93.2(2) . 7 ? Bi16 Se19 Bi17 93.2(2) . 7_545 ? Bi17 Se19 Bi17 90.7(3) 7 7_545 ? Bi16 Se19 Bi13 91.0(2) . 1_545 ? Bi17 Se19 Bi13 173.4(3) 7 1_545 ? Bi17 Se19 Bi13 94.20(14) 7_545 1_545 ? Bi16 Se19 Bi13 91.0(2) . . ? Bi17 Se19 Bi13 94.20(14) 7 . ? Bi17 Se19 Bi13 173.4(3) 7_545 . ? Bi13 Se19 Bi13 80.6(2) 1_545 . ? Bi14 Se20 Bi11 95.9(2) . 7 ? Bi14 Se20 Bi11 95.9(2) . 7_545 ? Bi11 Se20 Bi11 87.2(2) 7 7_545 ? Bi14 Se20 Pb12 96.1(2) . 7_545 ? Bi11 Se20 Pb12 168.1(3) 7 7_545 ? Bi11 Se20 Pb12 92.25(14) 7_545 7_545 ? Bi14 Se20 Pb12 96.1(2) . 7 ? Bi11 Se20 Pb12 92.25(14) 7 7 ? Bi11 Se20 Pb12 168.1(3) 7_545 7 ? Pb12 Se20 Pb12 85.8(2) 7_545 7 ? Bi15 S21 Bi17 98.3(2) . 7_545 ? Bi15 S21 Bi17 98.3(2) . 7 ? Bi17 S21 Bi17 89.6(3) 7_545 7 ? Bi15 S21 Pb12 102.5(3) . 7 ? Bi17 S21 Pb12 159.3(4) 7_545 7 ? Bi17 S21 Pb12 87.30(15) 7 7 ? Bi15 S21 Pb12 102.5(3) . 7_545 ? Bi17 S21 Pb12 87.30(15) 7_545 7_545 ? Bi17 S21 Pb12 159.3(4) 7 7_545 ? Pb12 S21 Pb12 88.4(3) 7 7_545 ? Bi11 Se22 Bi14 96.0(2) 7 . ? Bi11 Se22 Bi14 96.0(2) 7 1_565 ? Bi14 Se22 Bi14 91.5(3) . 1_565 ? Bi11 Se22 Bi11 102.9(2) 7 1_565 ? Bi14 Se22 Bi11 161.0(4) . 1_565 ? Bi14 Se22 Bi11 88.70(15) 1_565 1_565 ? Bi11 Se22 Bi11 102.9(2) 7 . ? Bi14 Se22 Bi11 88.70(15) . . ? Bi14 Se22 Bi11 161.0(4) 1_565 . ? Bi11 Se22 Bi11 85.0(3) 1_565 . ? Cu1 Se23 Cu1 118.4(5) 7_556 7_546 ? Cu1 Se23 Bi9 106.5(2) 7_556 . ? Cu1 Se23 Bi9 106.5(2) 7_546 . ? Cu1 Se23 Pb18 147.2(3) 7_556 1_545 ? Cu1 Se23 Pb18 70.77(19) 7_546 1_545 ? Bi9 Se23 Pb18 99.6(2) . 1_545 ? Cu1 Se23 Pb18 70.77(19) 7_556 . ? Cu1 Se23 Pb18 147.2(3) 7_546 . ? Bi9 Se23 Pb18 99.6(2) . . ? Pb18 Se23 Pb18 85.9(2) 1_545 . ? Cu1 Se24 Cu1 71.4(4) 5_556 . ? Cu1 Se24 Bi13 103.4(3) 5_556 5 ? Cu1 Se24 Bi13 130.87(17) . 5 ? Cu1 Se24 Bi13 103.4(3) 5_556 5_565 ? Cu1 Se24 Bi13 130.87(17) . 5_565 ? Bi13 Se24 Bi13 98.2(3) 5 5_565 ? Cu1 Se24 Pb18 137.2(4) 5_556 7_556 ? Cu1 Se24 Pb18 65.8(3) . 7_556 ? Bi13 Se24 Pb18 104.2(2) 5 7_556 ? Bi13 Se24 Pb18 104.2(2) 5_565 7_556 ? _diffrn_measured_fraction_theta_max 0.944 _diffrn_reflns_theta_full 27.77 _diffrn_measured_fraction_theta_full 0.944 _refine_diff_density_max 8.732 _refine_diff_density_min -6.353 _refine_diff_density_rms 1.107