data_watkinsonite _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Ag0.25 Bi4 Cu1.75 Pb Se8' _chemical_formula_weight 1812.95 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Cu' 'Cu' 0.3201 1.2651 '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' '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 'Monoclinic' _symmetry_space_group_name_H-M 'P2(1)/m ' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' '-x, -y, -z' 'x, -y-1/2, z' _cell_length_a 12.952(4) _cell_length_b 4.1523(14) _cell_length_c 15.155(5) _cell_angle_alpha 90.00 _cell_angle_beta 108.931(5) _cell_angle_gamma 90.00 _cell_volume 770.9(4) _cell_formula_units_Z 2 _cell_measurement_temperature 546(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 7.810 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1497 _exptl_absorpt_coefficient_mu 77.887 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 546(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 6621 _diffrn_reflns_av_R_equivalents 0.1575 _diffrn_reflns_av_sigmaI/netI 0.1403 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -4 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 1.42 _diffrn_reflns_theta_max 28.32 _reflns_number_total 2000 _reflns_number_gt 1287 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _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^)+(0.0000P)^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 0.00012(5) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 2000 _refine_ls_number_parameters 99 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0814 _refine_ls_R_factor_gt 0.0461 _refine_ls_wR_factor_ref 0.0880 _refine_ls_wR_factor_gt 0.0787 _refine_ls_goodness_of_fit_ref 0.775 _refine_ls_restrained_S_all 0.775 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pb Pb 0.23690(7) 0.2500 0.33139(8) 0.0288(3) Uani 1 2 d S . . Bi1 Bi 0.04295(6) 0.2500 0.88760(6) 0.0167(2) Uani 1 2 d S . . Bi2 Bi 0.56525(6) 0.2500 0.29021(6) 0.0161(2) Uani 1 2 d S . . Bi3 Bi 0.70545(6) 0.2500 0.90960(7) 0.0173(2) Uani 1 2 d S . . Bi4 Bi 0.92454(7) 0.2500 0.37818(7) 0.0213(3) Uani 1 2 d S . . Se1 Se 0.12568(15) 0.2500 0.50967(16) 0.0141(5) Uani 1 2 d S . . Se2 Se 0.13530(15) 0.2500 0.11562(16) 0.0152(5) Uani 1 2 d S . . Se3 Se 0.30144(16) 0.2500 0.73696(18) 0.0189(5) Uani 1 2 d S . . Se4 Se 0.43836(16) 0.2500 0.06837(18) 0.0185(5) Uani 1 2 d S . . Se5 Se 0.61451(16) 0.2500 0.70857(17) 0.0161(5) Uani 1 2 d S . . Se6 Se 0.63573(15) 0.2500 0.48096(17) 0.0151(5) Uani 1 2 d S . . Se7 Se 0.80926(15) 0.2500 0.11716(16) 0.0155(5) Uani 1 2 d S . . Se8 Se 0.95263(15) 0.2500 0.69674(16) 0.0135(5) Uani 1 2 d S . . Cu1 Cu 0.3788(16) 0.2500 0.9009(15) 0.088(9) Uani 0.68(3) 2 d SP . . Ag1 Ag 0.386(2) 0.2500 0.9006(18) 0.079(10) Uani 0.32(3) 2 d SP . . Cu2 Cu 0.4713(2) 0.2500 0.5372(2) 0.0258(8) 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 Pb 0.0254(5) 0.0174(5) 0.0439(8) 0.000 0.0117(5) 0.000 Bi1 0.0175(4) 0.0126(5) 0.0188(6) 0.000 0.0043(4) 0.000 Bi2 0.0152(4) 0.0128(5) 0.0193(6) 0.000 0.0042(4) 0.000 Bi3 0.0154(4) 0.0120(5) 0.0224(6) 0.000 0.0034(4) 0.000 Bi4 0.0188(4) 0.0166(5) 0.0256(6) 0.000 0.0031(4) 0.000 Se1 0.0126(9) 0.0127(12) 0.0161(13) 0.000 0.0034(9) 0.000 Se2 0.0126(9) 0.0136(11) 0.0173(14) 0.000 0.0023(10) 0.000 Se3 0.0137(10) 0.0129(12) 0.0299(16) 0.000 0.0066(10) 0.000 Se4 0.0173(10) 0.0139(12) 0.0255(15) 0.000 0.0086(11) 0.000 Se5 0.0150(10) 0.0125(12) 0.0208(15) 0.000 0.0058(10) 0.000 Se6 0.0135(9) 0.0117(12) 0.0177(14) 0.000 0.0019(10) 0.000 Se7 0.0132(9) 0.0126(12) 0.0200(15) 0.000 0.0042(10) 0.000 Se8 0.0136(9) 0.0110(12) 0.0145(13) 0.000 0.0026(9) 0.000 Cu1 0.060(9) 0.18(2) 0.025(11) 0.000 0.021(8) 0.000 Ag1 0.11(2) 0.097(19) 0.007(11) 0.000 -0.012(10) 0.000 Cu2 0.0302(15) 0.0122(16) 0.037(2) 0.000 0.0145(16) 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 Pb Se5 3.0228(15) 3_666 ? Pb Se5 3.0228(15) 3_656 ? Pb Se2 3.104(3) . ? Pb Se8 3.1366(16) 3_656 ? Pb Se8 3.1366(16) 3_666 ? Bi1 Se8 2.746(3) 1_455 ? Bi1 Se7 2.8406(14) 3_666 ? Bi1 Se7 2.8406(14) 3_656 ? Bi1 Se2 3.0935(15) 3_556 ? Bi1 Se2 3.0935(15) 3_566 ? Bi1 Se2 3.270(3) 1_556 ? Bi2 Se6 2.735(3) . ? Bi2 Se3 2.8147(14) 3_666 ? Bi2 Se3 2.8147(14) 3_656 ? Bi2 Se5 3.1239(16) 3_656 ? Bi2 Se5 3.1239(16) 3_666 ? Bi2 Se4 3.228(3) . ? Bi3 Se4 2.8800(14) 3_656 ? Bi3 Se4 2.8800(14) 3_666 ? Bi3 Se5 2.888(3) . ? Bi3 Se7 2.993(3) 1_556 ? Bi3 Se2 3.0368(15) 3_666 ? Bi3 Se2 3.0368(15) 3_656 ? Bi4 Se1 2.718(2) 1_655 ? Bi4 Se1 2.8878(16) 3_666 ? Bi4 Se1 2.8878(16) 3_656 ? Bi4 Se8 3.0500(15) 3_766 ? Bi4 Se8 3.0500(15) 3_756 ? Se1 Bi4 2.718(2) 1_455 ? Se1 Bi4 2.8878(16) 3_666 ? Se1 Bi4 2.8878(16) 3_656 ? Se2 Bi3 3.0368(15) 3_666 ? Se2 Bi3 3.0368(15) 3_656 ? Se2 Bi1 3.0935(15) 3_556 ? Se2 Bi1 3.0935(15) 3_566 ? Se2 Bi1 3.270(3) 1_554 ? Se3 Cu1 2.36(2) . ? Se3 Ag1 2.36(3) . ? Se3 Bi2 2.8147(14) 3_666 ? Se3 Bi2 2.8147(14) 3_656 ? Se4 Cu1 2.40(2) 1_554 ? Se4 Ag1 2.41(3) 1_554 ? Se4 Bi3 2.8800(14) 3_656 ? Se4 Bi3 2.8800(14) 3_666 ? Se4 Ag1 3.00(2) 3_666 ? Se4 Ag1 3.00(2) 3_656 ? Se5 Cu2 2.657(4) . ? Se5 Pb 3.0228(15) 3_666 ? Se5 Pb 3.0228(15) 3_656 ? Se5 Bi2 3.1239(16) 3_656 ? Se5 Bi2 3.1239(16) 3_666 ? Se6 Cu2 2.4621(18) 3_656 ? Se6 Cu2 2.4621(18) 3_666 ? Se6 Cu2 2.537(3) . ? Se7 Bi1 2.8406(14) 3_666 ? Se7 Bi1 2.8406(14) 3_656 ? Se7 Bi3 2.993(3) 1_554 ? Se8 Bi1 2.746(3) 1_655 ? Se8 Bi4 3.0500(15) 3_766 ? Se8 Bi4 3.0500(15) 3_756 ? Se8 Pb 3.1366(16) 3_656 ? Se8 Pb 3.1366(16) 3_666 ? Cu1 Se4 2.40(2) 1_556 ? Ag1 Se4 2.41(3) 1_556 ? Ag1 Se4 3.00(2) 3_666 ? Ag1 Se4 3.00(2) 3_656 ? Cu2 Se6 2.4621(18) 3_656 ? Cu2 Se6 2.4621(18) 3_666 ? Cu2 Cu2 2.583(3) 3_656 ? Cu2 Cu2 2.583(3) 3_666 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Se5 Pb Se5 86.76(5) 3_666 3_656 ? Se5 Pb Se2 82.46(6) 3_666 . ? Se5 Pb Se2 82.46(6) 3_656 . ? Se5 Pb Se8 161.52(8) 3_666 3_656 ? Se5 Pb Se8 92.25(4) 3_656 3_656 ? Se2 Pb Se8 79.12(5) . 3_656 ? Se5 Pb Se8 92.25(4) 3_666 3_666 ? Se5 Pb Se8 161.52(8) 3_656 3_666 ? Se2 Pb Se8 79.12(5) . 3_666 ? Se8 Pb Se8 82.89(5) 3_656 3_666 ? Se8 Bi1 Se7 91.93(6) 1_455 3_666 ? Se8 Bi1 Se7 91.93(6) 1_455 3_656 ? Se7 Bi1 Se7 93.92(6) 3_666 3_656 ? Se8 Bi1 Se2 85.57(6) 1_455 3_556 ? Se7 Bi1 Se2 174.69(5) 3_666 3_556 ? Se7 Bi1 Se2 90.84(4) 3_656 3_556 ? Se8 Bi1 Se2 85.57(5) 1_455 3_566 ? Se7 Bi1 Se2 90.84(4) 3_666 3_566 ? Se7 Bi1 Se2 174.69(5) 3_656 3_566 ? Se2 Bi1 Se2 84.31(5) 3_556 3_566 ? Se8 Bi1 Se2 176.48(5) 1_455 1_556 ? Se7 Bi1 Se2 90.48(6) 3_666 1_556 ? Se7 Bi1 Se2 90.48(6) 3_656 1_556 ? Se2 Bi1 Se2 91.83(5) 3_556 1_556 ? Se2 Bi1 Se2 91.83(5) 3_566 1_556 ? Se6 Bi2 Se3 98.30(6) . 3_666 ? Se6 Bi2 Se3 98.30(6) . 3_656 ? Se3 Bi2 Se3 95.06(6) 3_666 3_656 ? Se6 Bi2 Se5 89.29(5) . 3_656 ? Se3 Bi2 Se5 169.99(7) 3_666 3_656 ? Se3 Bi2 Se5 90.25(4) 3_656 3_656 ? Se6 Bi2 Se5 89.29(5) . 3_666 ? Se3 Bi2 Se5 90.25(4) 3_666 3_666 ? Se3 Bi2 Se5 169.99(7) 3_656 3_666 ? Se5 Bi2 Se5 83.30(5) 3_656 3_666 ? Se6 Bi2 Se4 169.62(5) . . ? Se3 Bi2 Se4 88.67(6) 3_666 . ? Se3 Bi2 Se4 88.67(6) 3_656 . ? Se5 Bi2 Se4 82.97(5) 3_656 . ? Se5 Bi2 Se4 82.97(5) 3_666 . ? Se4 Bi3 Se4 92.25(6) 3_656 3_666 ? Se4 Bi3 Se5 93.70(6) 3_656 . ? Se4 Bi3 Se5 93.70(6) 3_666 . ? Se4 Bi3 Se7 88.00(6) 3_656 1_556 ? Se4 Bi3 Se7 88.00(6) 3_666 1_556 ? Se5 Bi3 Se7 177.55(5) . 1_556 ? Se4 Bi3 Se2 177.00(4) 3_656 3_666 ? Se4 Bi3 Se2 90.74(4) 3_666 3_666 ? Se5 Bi3 Se2 85.90(6) . 3_666 ? Se7 Bi3 Se2 92.32(6) 1_556 3_666 ? Se4 Bi3 Se2 90.74(4) 3_656 3_656 ? Se4 Bi3 Se2 177.00(4) 3_666 3_656 ? Se5 Bi3 Se2 85.90(6) . 3_656 ? Se7 Bi3 Se2 92.32(6) 1_556 3_656 ? Se2 Bi3 Se2 86.26(5) 3_666 3_656 ? Se1 Bi4 Se1 85.05(5) 1_655 3_666 ? Se1 Bi4 Se1 85.05(5) 1_655 3_656 ? Se1 Bi4 Se1 91.93(7) 3_666 3_656 ? Se1 Bi4 Se8 77.37(6) 1_655 3_766 ? Se1 Bi4 Se8 88.51(4) 3_666 3_766 ? Se1 Bi4 Se8 162.32(7) 3_656 3_766 ? Se1 Bi4 Se8 77.37(6) 1_655 3_756 ? Se1 Bi4 Se8 162.32(7) 3_666 3_756 ? Se1 Bi4 Se8 88.51(4) 3_656 3_756 ? Se8 Bi4 Se8 85.80(5) 3_766 3_756 ? Bi4 Se1 Bi4 94.95(5) 1_455 3_666 ? Bi4 Se1 Bi4 94.95(5) 1_455 3_656 ? Bi4 Se1 Bi4 91.93(7) 3_666 3_656 ? Bi3 Se2 Bi3 86.26(5) 3_666 3_656 ? Bi3 Se2 Bi1 172.19(9) 3_666 3_556 ? Bi3 Se2 Bi1 94.19(3) 3_656 3_556 ? Bi3 Se2 Bi1 94.19(3) 3_666 3_566 ? Bi3 Se2 Bi1 172.19(9) 3_656 3_566 ? Bi1 Se2 Bi1 84.31(5) 3_556 3_566 ? Bi3 Se2 Pb 93.41(6) 3_666 . ? Bi3 Se2 Pb 93.41(6) 3_656 . ? Bi1 Se2 Pb 94.34(5) 3_556 . ? Bi1 Se2 Pb 94.34(5) 3_566 . ? Bi3 Se2 Bi1 84.12(5) 3_666 1_554 ? Bi3 Se2 Bi1 84.12(5) 3_656 1_554 ? Bi1 Se2 Bi1 88.17(5) 3_556 1_554 ? Bi1 Se2 Bi1 88.17(5) 3_566 1_554 ? Pb Se2 Bi1 176.60(6) . 1_554 ? Cu1 Se3 Ag1 2.3(11) . . ? Cu1 Se3 Bi2 94.8(3) . 3_666 ? Ag1 Se3 Bi2 93.2(5) . 3_666 ? Cu1 Se3 Bi2 94.8(3) . 3_656 ? Ag1 Se3 Bi2 93.2(5) . 3_656 ? Bi2 Se3 Bi2 95.06(6) 3_666 3_656 ? Cu1 Se4 Ag1 2.3(11) 1_554 1_554 ? Cu1 Se4 Bi3 97.2(3) 1_554 3_656 ? Ag1 Se4 Bi3 98.7(5) 1_554 3_656 ? Cu1 Se4 Bi3 97.2(3) 1_554 3_666 ? Ag1 Se4 Bi3 98.7(5) 1_554 3_666 ? Bi3 Se4 Bi3 92.25(6) 3_656 3_666 ? Cu1 Se4 Ag1 97.6(5) 1_554 3_666 ? Ag1 Se4 Ag1 96.0(7) 1_554 3_666 ? Bi3 Se4 Ag1 165.0(5) 3_656 3_666 ? Bi3 Se4 Ag1 88.2(4) 3_666 3_666 ? Cu1 Se4 Ag1 97.6(5) 1_554 3_656 ? Ag1 Se4 Ag1 96.0(7) 1_554 3_656 ? Bi3 Se4 Ag1 88.2(4) 3_656 3_656 ? Bi3 Se4 Ag1 165.0(5) 3_666 3_656 ? Ag1 Se4 Ag1 87.5(8) 3_666 3_656 ? Cu1 Se4 Bi2 168.9(4) 1_554 . ? Ag1 Se4 Bi2 166.6(7) 1_554 . ? Bi3 Se4 Bi2 90.52(6) 3_656 . ? Bi3 Se4 Bi2 90.52(6) 3_666 . ? Ag1 Se4 Bi2 74.5(5) 3_666 . ? Ag1 Se4 Bi2 74.5(5) 3_656 . ? Cu2 Se5 Bi3 161.39(9) . . ? Cu2 Se5 Pb 95.27(7) . 3_666 ? Bi3 Se5 Pb 98.23(6) . 3_666 ? Cu2 Se5 Pb 95.27(7) . 3_656 ? Bi3 Se5 Pb 98.23(6) . 3_656 ? Pb Se5 Pb 86.76(5) 3_666 3_656 ? Cu2 Se5 Bi2 73.79(6) . 3_656 ? Bi3 Se5 Bi2 92.49(5) . 3_656 ? Pb Se5 Bi2 169.05(9) 3_666 3_656 ? Pb Se5 Bi2 93.95(3) 3_656 3_656 ? Cu2 Se5 Bi2 73.79(6) . 3_666 ? Bi3 Se5 Bi2 92.49(5) . 3_666 ? Pb Se5 Bi2 93.95(3) 3_666 3_666 ? Pb Se5 Bi2 169.05(9) 3_656 3_666 ? Bi2 Se5 Bi2 83.30(5) 3_656 3_666 ? Cu2 Se6 Cu2 114.97(13) 3_656 3_666 ? Cu2 Se6 Cu2 62.20(7) 3_656 . ? Cu2 Se6 Cu2 62.20(7) 3_666 . ? Cu2 Se6 Bi2 84.22(10) 3_656 . ? Cu2 Se6 Bi2 84.22(10) 3_666 . ? Cu2 Se6 Bi2 109.04(10) . . ? Bi1 Se7 Bi1 93.92(6) 3_666 3_656 ? Bi1 Se7 Bi3 92.87(6) 3_666 1_554 ? Bi1 Se7 Bi3 92.87(6) 3_656 1_554 ? Bi1 Se8 Bi4 107.26(6) 1_655 3_766 ? Bi1 Se8 Bi4 107.26(6) 1_655 3_756 ? Bi4 Se8 Bi4 85.80(5) 3_766 3_756 ? Bi1 Se8 Pb 100.97(5) 1_655 3_656 ? Bi4 Se8 Pb 151.60(9) 3_766 3_656 ? Bi4 Se8 Pb 88.77(4) 3_756 3_656 ? Bi1 Se8 Pb 100.97(5) 1_655 3_666 ? Bi4 Se8 Pb 88.77(4) 3_766 3_666 ? Bi4 Se8 Pb 151.60(9) 3_756 3_666 ? Pb Se8 Pb 82.89(5) 3_656 3_666 ? Se3 Cu1 Se4 174.0(8) . 1_556 ? Se3 Ag1 Se4 169.4(14) . 1_556 ? Se3 Ag1 Se4 103.5(7) . 3_666 ? Se4 Ag1 Se4 84.0(7) 1_556 3_666 ? Se3 Ag1 Se4 103.5(7) . 3_656 ? Se4 Ag1 Se4 84.0(7) 1_556 3_656 ? Se4 Ag1 Se4 87.5(8) 3_666 3_656 ? Se6 Cu2 Se6 114.97(13) 3_656 3_666 ? Se6 Cu2 Se6 117.80(7) 3_656 . ? Se6 Cu2 Se6 117.80(7) 3_666 . ? Se6 Cu2 Cu2 60.31(7) 3_656 3_656 ? Se6 Cu2 Cu2 149.4(2) 3_666 3_656 ? Se6 Cu2 Cu2 57.48(9) . 3_656 ? Se6 Cu2 Cu2 149.4(2) 3_656 3_666 ? Se6 Cu2 Cu2 60.31(7) 3_666 3_666 ? Se6 Cu2 Cu2 57.48(9) . 3_666 ? Cu2 Cu2 Cu2 106.98(18) 3_656 3_666 ? Se6 Cu2 Se5 107.35(10) 3_656 . ? Se6 Cu2 Se5 107.35(10) 3_666 . ? Se6 Cu2 Se5 86.14(11) . . ? Cu2 Cu2 Se5 102.60(15) 3_656 . ? Cu2 Cu2 Se5 102.60(15) 3_666 . ? _diffrn_measured_fraction_theta_max 0.914 _diffrn_reflns_theta_full 28.32 _diffrn_measured_fraction_theta_full 0.914 _refine_diff_density_max 3.822 _refine_diff_density_min -2.998 _refine_diff_density_rms 0.579