data_cosalite_2_Habachtal _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Ag0.06 Bi8.02 Cu0.36 Pb7.80 S20' _chemical_formula_weight 3880.84 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' 'Cu' 'Cu' 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ag' 'Ag' -0.8971 1.1015 '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' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Pnma loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z+1/2' '-x, y+1/2, -z' '-x, -y, -z' 'x-1/2, y, -z-1/2' '-x-1/2, y-1/2, z-1/2' 'x, -y-1/2, z' _cell_length_a 23.894(5) _cell_length_b 4.0616(9) _cell_length_c 19.143(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1857.8(7) _cell_formula_units_Z 2 _cell_measurement_temperature 297(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 6.938 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3221 _exptl_absorpt_coefficient_mu 71.256 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 297(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_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 15973 _diffrn_reflns_av_R_equivalents 0.1799 _diffrn_reflns_av_sigmaI/netI 0.0945 _diffrn_reflns_limit_h_min -31 _diffrn_reflns_limit_h_max 27 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.70 _diffrn_reflns_theta_max 28.42 _reflns_number_total 2537 _reflns_number_gt 1785 _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^)+(0.0753P)^2^+0.0000P] 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 0.00005(3) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 2537 _refine_ls_number_parameters 125 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0828 _refine_ls_R_factor_gt 0.0531 _refine_ls_wR_factor_ref 0.1289 _refine_ls_wR_factor_gt 0.1147 _refine_ls_goodness_of_fit_ref 0.889 _refine_ls_restrained_S_all 0.889 _refine_ls_shift/su_max 0.006 _refine_ls_shift/su_mean 0.001 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 0.15501(4) 0.7500 0.98209(5) 0.0185(2) Uani 1 2 d S . . Bi2 Bi 0.30262(4) 0.7500 0.09318(5) 0.0190(2) Uani 1 2 d S . . Bi3 Bi 0.01051(4) 0.2500 0.08977(5) 0.0214(3) Uani 1 2 d S . . Bi4 Bi 0.17134(4) 0.2500 0.18559(5) 0.0191(2) Uani 1 2 d S . . Pb1 Pb 0.04038(4) 0.7500 0.27356(5) 0.0226(3) Uani 1 2 d S . . Pb2 Pb 0.43418(5) 0.2500 0.03430(9) 0.0234(5) Uani 0.867(7) 2 d SP . . Pb3 Pb 0.20592(5) 0.7500 0.38200(6) 0.0290(3) Uani 1 2 d S . . Pb4 Pb 0.37356(5) 0.7500 0.29288(6) 0.0288(3) Uani 1 2 d S . . Cu1 Cu 0.423(2) 0.2500 0.978(3) 0.07(3) Uani 0.13(2) 2 d SP . . Cu2 Cu 0.4468(14) 0.2500 0.104(3) 0.07(2) Uani 0.127(19) 2 d SP . . S1 S 0.1385(3) 0.2500 0.4764(3) 0.0228(13) Uani 1 2 d S . . S2 S 0.2297(3) 0.2500 0.0296(3) 0.0207(13) Uani 1 2 d S . . S3 S 0.9996(3) 0.7500 0.4134(4) 0.0266(15) Uani 1 2 d S . . S4 S 0.3635(3) 0.2500 0.1524(3) 0.0212(13) Uani 1 2 d S . . S5 S 0.4640(3) 0.2500 0.2828(3) 0.0207(13) Uani 1 2 d S . . S6 S 0.2382(3) 0.7500 0.2280(3) 0.0195(13) Uani 1 2 d S . . S7 S 0.0883(3) 0.7500 0.1286(4) 0.0224(14) Uani 1 2 d S . . S8 S 0.1251(3) 0.2500 0.3070(3) 0.0200(13) Uani 1 2 d S . . S9 S 0.2961(3) 0.2500 0.3609(3) 0.0177(12) Uani 1 2 d S . . S10 S 0.4156(3) 0.7500 0.4338(3) 0.0187(12) Uani 1 2 d S . . 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 0.0153(5) 0.0159(5) 0.0242(5) 0.000 -0.0003(4) 0.000 Bi2 0.0138(5) 0.0175(4) 0.0257(5) 0.000 -0.0002(4) 0.000 Bi3 0.0173(5) 0.0184(5) 0.0285(5) 0.000 -0.0014(4) 0.000 Bi4 0.0168(5) 0.0173(5) 0.0231(5) 0.000 0.0004(4) 0.000 Pb1 0.0193(5) 0.0188(5) 0.0296(5) 0.000 0.0008(4) 0.000 Pb2 0.0164(7) 0.0206(6) 0.0333(12) 0.000 -0.0005(6) 0.000 Pb3 0.0237(6) 0.0221(5) 0.0412(7) 0.000 0.0001(5) 0.000 Pb4 0.0295(6) 0.0245(5) 0.0324(6) 0.000 0.0009(5) 0.000 Cu1 0.07(3) 0.024(16) 0.11(5) 0.000 0.09(4) 0.000 Cu2 0.02(2) 0.031(19) 0.15(6) 0.000 0.07(3) 0.000 S1 0.022(4) 0.025(3) 0.021(3) 0.000 -0.003(3) 0.000 S2 0.014(3) 0.019(3) 0.029(3) 0.000 -0.003(3) 0.000 S3 0.020(4) 0.029(4) 0.031(4) 0.000 0.004(3) 0.000 S4 0.018(3) 0.021(3) 0.025(3) 0.000 -0.004(3) 0.000 S5 0.019(4) 0.018(3) 0.024(3) 0.000 -0.002(3) 0.000 S6 0.017(3) 0.016(3) 0.025(3) 0.000 -0.001(3) 0.000 S7 0.020(4) 0.015(3) 0.032(4) 0.000 -0.002(3) 0.000 S8 0.019(3) 0.018(3) 0.023(3) 0.000 0.004(3) 0.000 S9 0.018(3) 0.012(3) 0.023(3) 0.000 -0.002(2) 0.000 S10 0.012(3) 0.014(3) 0.030(3) 0.000 0.000(3) 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 S9 2.598(6) 2_565 ? Bi1 S10 2.798(5) 2_565 ? Bi1 S10 2.798(5) 2_575 ? Bi1 S2 2.852(5) 1_566 ? Bi1 S2 2.852(5) 1_556 ? Bi2 S1 2.641(7) 2_564 ? Bi2 S4 2.743(5) 1_565 ? Bi2 S4 2.743(5) . ? Bi2 S2 2.940(5) . ? Bi2 S2 2.940(5) 1_565 ? Bi2 S6 3.005(7) . ? Bi3 S5 2.681(7) 6_556 ? Bi3 S7 2.852(5) . ? Bi3 S7 2.852(5) 1_545 ? Bi3 S10 3.077(5) 6_546 ? Bi3 S10 3.077(5) 6_556 ? Bi4 S8 2.574(6) . ? Bi4 S6 2.708(4) . ? Bi4 S6 2.708(4) 1_545 ? Bi4 S7 3.041(5) 1_545 ? Bi4 S7 3.041(5) . ? Pb1 S3 2.850(7) 1_455 ? Pb1 S5 2.935(5) 6_556 ? Pb1 S5 2.935(5) 6_566 ? Pb1 S8 2.938(5) 1_565 ? Pb1 S8 2.938(5) . ? Pb1 S7 3.003(7) . ? Pb2 Cu1 1.11(7) 1_554 ? Pb2 Cu2 1.36(6) . ? Pb2 S3 2.751(5) 6_556 ? Pb2 S3 2.751(5) 6_546 ? Pb2 S3 2.803(7) 2_664 ? Pb2 S4 2.823(7) . ? Pb2 S1 2.893(5) 2_554 ? Pb2 S1 2.893(5) 2_564 ? Pb3 S9 2.987(5) . ? Pb3 S9 2.987(5) 1_565 ? Pb3 S6 3.047(7) . ? Pb4 S10 2.878(7) . ? Pb4 S5 2.972(5) 1_565 ? Pb4 S5 2.972(5) . ? Pb4 S9 3.041(5) 1_565 ? Pb4 S9 3.041(5) . ? Cu1 Pb2 1.11(7) 1_556 ? Cu1 S3 2.23(3) 2_665 ? Cu1 S1 2.50(3) 2 ? Cu1 S1 2.50(3) 2_565 ? Cu1 Cu2 2.48(10) 1_556 ? Cu2 S4 2.20(3) . ? Cu2 S3 2.413(15) 6_556 ? Cu2 S3 2.413(15) 6_546 ? Cu2 Cu1 2.48(10) 1_554 ? S1 Cu1 2.50(3) 2_554 ? S1 Cu1 2.50(3) 2_564 ? S1 Bi2 2.641(7) 2_565 ? S1 Pb2 2.893(5) 2 ? S1 Pb2 2.893(5) 2_565 ? S2 Bi1 2.852(5) 1_544 ? S2 Bi1 2.852(5) 1_554 ? S2 Bi2 2.940(5) 1_545 ? S3 Cu1 2.23(3) 2_664 ? S3 Cu2 2.413(15) 6_656 ? S3 Cu2 2.413(15) 6_666 ? S3 Pb2 2.751(5) 6_656 ? S3 Pb2 2.751(5) 6_666 ? S3 Pb2 2.803(7) 2_665 ? S3 Pb1 2.850(7) 1_655 ? S4 Bi2 2.743(4) 1_545 ? S5 Bi3 2.681(7) 6_656 ? S5 Pb1 2.935(5) 6_656 ? S5 Pb1 2.935(5) 6_646 ? S5 Pb4 2.972(5) 1_545 ? S6 Bi4 2.708(4) 1_565 ? S7 Bi3 2.852(5) 1_565 ? S7 Bi4 3.041(5) 1_565 ? S8 Pb1 2.938(5) 1_545 ? S9 Bi1 2.598(6) 2_564 ? S9 Pb3 2.987(5) 1_545 ? S9 Pb4 3.041(5) 1_545 ? S10 Bi1 2.798(5) 2_564 ? S10 Bi1 2.798(5) 2_574 ? S10 Bi3 3.077(5) 6_666 ? S10 Bi3 3.077(5) 6_656 ? 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 S9 Bi1 S10 88.64(17) 2_565 2_565 ? S9 Bi1 S10 88.64(17) 2_565 2_575 ? S10 Bi1 S10 93.1(2) 2_565 2_575 ? S9 Bi1 S2 90.18(17) 2_565 1_566 ? S10 Bi1 S2 178.34(17) 2_565 1_566 ? S10 Bi1 S2 88.05(13) 2_575 1_566 ? S9 Bi1 S2 90.18(17) 2_565 1_556 ? S10 Bi1 S2 88.05(13) 2_565 1_556 ? S10 Bi1 S2 178.34(18) 2_575 1_556 ? S2 Bi1 S2 90.79(19) 1_566 1_556 ? S1 Bi2 S4 93.88(17) 2_564 1_565 ? S1 Bi2 S4 93.88(17) 2_564 . ? S4 Bi2 S4 95.5(2) 1_565 . ? S1 Bi2 S2 88.00(17) 2_564 . ? S4 Bi2 S2 175.42(16) 1_565 . ? S4 Bi2 S2 88.49(13) . . ? S1 Bi2 S2 88.00(17) 2_564 1_565 ? S4 Bi2 S2 88.49(13) 1_565 1_565 ? S4 Bi2 S2 175.42(16) . 1_565 ? S2 Bi2 S2 87.39(18) . 1_565 ? S1 Bi2 S6 178.7(2) 2_564 . ? S4 Bi2 S6 85.22(17) 1_565 . ? S4 Bi2 S6 85.22(17) . . ? S2 Bi2 S6 92.97(16) . . ? S2 Bi2 S6 92.97(16) 1_565 . ? S5 Bi3 S7 91.90(18) 6_556 . ? S5 Bi3 S7 91.90(18) 6_556 1_545 ? S7 Bi3 S7 90.80(19) . 1_545 ? S5 Bi3 S10 80.09(16) 6_556 6_546 ? S7 Bi3 S10 171.31(17) . 6_546 ? S7 Bi3 S10 92.79(13) 1_545 6_546 ? S5 Bi3 S10 80.09(16) 6_556 6_556 ? S7 Bi3 S10 92.79(13) . 6_556 ? S7 Bi3 S10 171.31(17) 1_545 6_556 ? S10 Bi3 S10 82.60(16) 6_546 6_556 ? S8 Bi4 S6 89.00(17) . . ? S8 Bi4 S6 89.00(17) . 1_545 ? S6 Bi4 S6 97.2(2) . 1_545 ? S8 Bi4 S7 92.52(17) . 1_545 ? S6 Bi4 S7 173.18(14) . 1_545 ? S6 Bi4 S7 89.50(13) 1_545 1_545 ? S8 Bi4 S7 92.52(17) . . ? S6 Bi4 S7 89.50(13) . . ? S6 Bi4 S7 173.18(14) 1_545 . ? S7 Bi4 S7 83.80(17) 1_545 . ? S3 Pb1 S5 97.64(17) 1_455 6_556 ? S3 Pb1 S5 97.64(17) 1_455 6_566 ? S5 Pb1 S5 87.55(19) 6_556 6_566 ? S3 Pb1 S8 91.75(17) 1_455 1_565 ? S5 Pb1 S8 170.60(18) 6_556 1_565 ? S5 Pb1 S8 91.72(13) 6_566 1_565 ? S3 Pb1 S8 91.75(17) 1_455 . ? S5 Pb1 S8 91.72(13) 6_556 . ? S5 Pb1 S8 170.60(18) 6_566 . ? S8 Pb1 S8 87.46(19) 1_565 . ? S3 Pb1 S7 177.5(2) 1_455 . ? S5 Pb1 S7 84.12(16) 6_556 . ? S5 Pb1 S7 84.12(16) 6_566 . ? S8 Pb1 S7 86.48(15) 1_565 . ? S8 Pb1 S7 86.48(15) . . ? Cu1 Pb2 Cu2 178(2) 1_554 . ? Cu1 Pb2 S3 119.5(11) 1_554 6_556 ? Cu2 Pb2 S3 61.3(6) . 6_556 ? Cu1 Pb2 S3 119.5(11) 1_554 6_546 ? Cu2 Pb2 S3 61.3(6) . 6_546 ? S3 Pb2 S3 95.2(2) 6_556 6_546 ? Cu1 Pb2 S3 49(2) 1_554 2_664 ? Cu2 Pb2 S3 132.8(12) . 2_664 ? S3 Pb2 S3 88.82(18) 6_556 2_664 ? S3 Pb2 S3 88.82(18) 6_546 2_664 ? Cu1 Pb2 S4 129(2) 1_554 . ? Cu2 Pb2 S4 49.6(12) . . ? S3 Pb2 S4 92.81(18) 6_556 . ? S3 Pb2 S4 92.81(18) 6_546 . ? S3 Pb2 S4 177.6(2) 2_664 . ? Cu1 Pb2 S1 58.7(11) 1_554 2_554 ? Cu2 Pb2 S1 120.4(7) . 2_554 ? S3 Pb2 S1 177.00(16) 6_556 2_554 ? S3 Pb2 S1 87.85(14) 6_546 2_554 ? S3 Pb2 S1 91.30(17) 2_664 2_554 ? S4 Pb2 S1 86.97(16) . 2_554 ? Cu1 Pb2 S1 58.7(11) 1_554 2_564 ? Cu2 Pb2 S1 120.4(7) . 2_564 ? S3 Pb2 S1 87.85(14) 6_556 2_564 ? S3 Pb2 S1 177.00(16) 6_546 2_564 ? S3 Pb2 S1 91.30(17) 2_664 2_564 ? S4 Pb2 S1 86.97(16) . 2_564 ? S1 Pb2 S1 89.2(2) 2_554 2_564 ? S9 Pb3 S9 85.65(17) . 1_565 ? S9 Pb3 S6 71.76(15) . . ? S9 Pb3 S6 71.76(15) 1_565 . ? S10 Pb4 S5 78.87(16) . 1_565 ? S10 Pb4 S5 78.87(16) . . ? S5 Pb4 S5 86.20(18) 1_565 . ? S10 Pb4 S9 79.13(15) . 1_565 ? S5 Pb4 S9 90.83(13) 1_565 1_565 ? S5 Pb4 S9 157.96(18) . 1_565 ? S10 Pb4 S9 79.13(15) . . ? S5 Pb4 S9 157.96(18) 1_565 . ? S5 Pb4 S9 90.83(13) . . ? S9 Pb4 S9 83.79(17) 1_565 . ? Pb2 Cu1 S3 109(4) 1_556 2_665 ? Pb2 Cu1 S1 99.0(13) 1_556 2 ? S3 Cu1 S1 118.7(11) 2_665 2 ? Pb2 Cu1 S1 99.0(13) 1_556 2_565 ? S3 Cu1 S1 118.7(11) 2_665 2_565 ? S1 Cu1 S1 108.5(19) 2 2_565 ? Pb2 Cu1 Cu2 0.9(12) 1_556 1_556 ? S3 Cu1 Cu2 110(3) 2_665 1_556 ? S1 Cu1 Cu2 98.5(13) 2 1_556 ? S1 Cu1 Cu2 98.5(13) 2_565 1_556 ? Pb2 Cu2 S4 102(2) . . ? Pb2 Cu2 S3 89.1(13) . 6_556 ? S4 Cu2 S3 122.1(6) . 6_556 ? Pb2 Cu2 S3 89.1(13) . 6_546 ? S4 Cu2 S3 122.1(6) . 6_546 ? S3 Cu2 S3 114.6(11) 6_556 6_546 ? Pb2 Cu2 Cu1 0.7(10) . 1_554 ? S4 Cu2 Cu1 102(2) . 1_554 ? S3 Cu2 Cu1 89.4(14) 6_556 1_554 ? S3 Cu2 Cu1 89.4(14) 6_546 1_554 ? Cu1 S1 Cu1 108.5(19) 2_554 2_564 ? Cu1 S1 Bi2 107.5(10) 2_554 2_565 ? Cu1 S1 Bi2 107.5(10) 2_564 2_565 ? Cu1 S1 Pb2 22.4(15) 2_554 2 ? Cu1 S1 Pb2 102.4(13) 2_564 2 ? Bi2 S1 Pb2 89.74(17) 2_565 2 ? Cu1 S1 Pb2 102.4(13) 2_554 2_565 ? Cu1 S1 Pb2 22.4(15) 2_564 2_565 ? Bi2 S1 Pb2 89.74(17) 2_565 2_565 ? Pb2 S1 Pb2 89.2(2) 2 2_565 ? Bi1 S2 Bi1 90.79(19) 1_544 1_554 ? Bi1 S2 Bi2 174.1(3) 1_544 . ? Bi1 S2 Bi2 90.63(3) 1_554 . ? Bi1 S2 Bi2 90.63(3) 1_544 1_545 ? Bi1 S2 Bi2 174.1(3) 1_554 1_545 ? Bi2 S2 Bi2 87.39(18) . 1_545 ? Cu1 S3 Cu2 120.7(8) 2_664 6_656 ? Cu1 S3 Cu2 120.7(8) 2_664 6_666 ? Cu2 S3 Cu2 114.6(11) 6_656 6_666 ? Cu1 S3 Pb2 105.8(12) 2_664 6_656 ? Cu2 S3 Pb2 29.6(14) 6_656 6_656 ? Cu2 S3 Pb2 111.9(10) 6_666 6_656 ? Cu1 S3 Pb2 105.8(12) 2_664 6_666 ? Cu2 S3 Pb2 111.9(10) 6_656 6_666 ? Cu2 S3 Pb2 29.6(14) 6_666 6_666 ? Pb2 S3 Pb2 95.2(2) 6_656 6_666 ? Cu1 S3 Pb2 22.1(19) 2_664 2_665 ? Cu2 S3 Pb2 114.0(10) 6_656 2_665 ? Cu2 S3 Pb2 114.0(10) 6_666 2_665 ? Pb2 S3 Pb2 91.18(18) 6_656 2_665 ? Pb2 S3 Pb2 91.18(18) 6_666 2_665 ? Cu1 S3 Pb1 103.6(19) 2_664 1_655 ? Cu2 S3 Pb1 92.9(14) 6_656 1_655 ? Cu2 S3 Pb1 92.9(14) 6_666 1_655 ? Pb2 S3 Pb1 122.41(17) 6_656 1_655 ? Pb2 S3 Pb1 122.41(17) 6_666 1_655 ? Pb2 S3 Pb1 125.7(3) 2_665 1_655 ? Cu2 S4 Bi2 107.7(10) . 1_545 ? Cu2 S4 Bi2 107.7(10) . . ? Bi2 S4 Bi2 95.5(2) 1_545 . ? Cu2 S4 Pb2 28.1(16) . . ? Bi2 S4 Pb2 89.21(17) 1_545 . ? Bi2 S4 Pb2 89.21(17) . . ? Bi3 S5 Pb1 94.41(17) 6_656 6_656 ? Bi3 S5 Pb1 94.41(17) 6_656 6_646 ? Pb1 S5 Pb1 87.55(19) 6_656 6_646 ? Bi3 S5 Pb4 104.02(17) 6_656 1_545 ? Pb1 S5 Pb4 161.6(2) 6_656 1_545 ? Pb1 S5 Pb4 90.18(5) 6_646 1_545 ? Bi3 S5 Pb4 104.02(17) 6_656 . ? Pb1 S5 Pb4 90.18(5) 6_656 . ? Pb1 S5 Pb4 161.6(2) 6_646 . ? Pb4 S5 Pb4 86.20(18) 1_545 . ? Bi4 S6 Bi4 97.2(2) . 1_565 ? Bi4 S6 Bi2 92.57(16) . . ? Bi4 S6 Bi2 92.57(16) 1_565 . ? Bi4 S6 Pb3 98.10(17) . . ? Bi4 S6 Pb3 98.10(17) 1_565 . ? Bi2 S6 Pb3 163.8(3) . . ? Bi3 S7 Bi3 90.80(19) . 1_565 ? Bi3 S7 Pb1 89.54(17) . . ? Bi3 S7 Pb1 89.54(17) 1_565 . ? Bi3 S7 Bi4 173.8(2) . 1_565 ? Bi3 S7 Bi4 92.48(3) 1_565 1_565 ? Pb1 S7 Bi4 85.25(16) . 1_565 ? Bi3 S7 Bi4 92.48(3) . . ? Bi3 S7 Bi4 173.8(2) 1_565 . ? Pb1 S7 Bi4 85.25(16) . . ? Bi4 S7 Bi4 83.80(17) 1_565 . ? Bi4 S8 Pb1 95.67(17) . 1_545 ? Bi4 S8 Pb1 95.67(17) . . ? Pb1 S8 Pb1 87.46(19) 1_545 . ? Bi1 S9 Pb3 101.75(17) 2_564 1_545 ? Bi1 S9 Pb3 101.75(17) 2_564 . ? Pb3 S9 Pb3 85.65(17) 1_545 . ? Bi1 S9 Pb4 96.22(17) 2_564 . ? Pb3 S9 Pb4 161.9(2) 1_545 . ? Pb3 S9 Pb4 92.46(5) . . ? Bi1 S9 Pb4 96.22(17) 2_564 1_545 ? Pb3 S9 Pb4 92.46(5) 1_545 1_545 ? Pb3 S9 Pb4 161.9(2) . 1_545 ? Pb4 S9 Pb4 83.79(17) . 1_545 ? Bi1 S10 Bi1 93.1(2) 2_564 2_574 ? Bi1 S10 Pb4 95.69(17) 2_564 . ? Bi1 S10 Pb4 95.69(17) 2_574 . ? Bi1 S10 Bi3 166.4(2) 2_564 6_666 ? Bi1 S10 Bi3 90.79(4) 2_574 6_666 ? Pb4 S10 Bi3 96.90(16) . 6_666 ? Bi1 S10 Bi3 90.79(4) 2_564 6_656 ? Bi1 S10 Bi3 166.4(2) 2_574 6_656 ? Pb4 S10 Bi3 96.90(16) . 6_656 ? Bi3 S10 Bi3 82.60(16) 6_666 6_656 ? _diffrn_measured_fraction_theta_max 0.951 _diffrn_reflns_theta_full 28.42 _diffrn_measured_fraction_theta_full 0.951 _refine_diff_density_max 6.698 _refine_diff_density_min -2.640 _refine_diff_density_rms 0.734