data_4tk108m _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Bi8.01 K1.0 Rb Se13' _chemical_formula_weight 2826.74 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'K' 'K' 0.2009 0.2494 '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' 'Rb' 'Rb' -0.9393 2.9676 '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 ? _symmetry_space_group_name_H-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 17.568(3) _cell_length_b 4.1924(7) _cell_length_c 18.499(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.383(3) _cell_angle_gamma 90.00 _cell_volume 1362.4(4) _cell_formula_units_Z 2 _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 6.890 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2327 _exptl_absorpt_coefficient_mu 70.824 _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_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 15715 _diffrn_reflns_av_R_equivalents 0.0630 _diffrn_reflns_av_sigmaI/netI 0.0768 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 3.30 _diffrn_reflns_theta_max 30.33 _reflns_number_total 4328 _reflns_number_gt 2729 _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^)+(0.0345P)^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 none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4328 _refine_ls_number_parameters 151 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0819 _refine_ls_R_factor_gt 0.0391 _refine_ls_wR_factor_ref 0.0874 _refine_ls_wR_factor_gt 0.0762 _refine_ls_goodness_of_fit_ref 0.942 _refine_ls_restrained_S_all 0.944 _refine_ls_shift/su_max 0.004 _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_symetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Rb2 Rb 0.47959(13) -0.7500 0.15630(12) 0.0406(6) Uani 1 2 d S . . Bi1 Bi 0.91978(4) 0.7500 0.07902(4) 0.01849(16) Uani 1 2 d S . . Bi2 Bi 1.17199(4) -0.2500 0.12375(4) 0.01780(16) Uani 1 2 d S . . Bi3 Bi 0.67387(4) -0.2500 0.01976(4) 0.01697(16) Uani 1 2 d S . . Bi4 Bi 0.89441(4) -0.2500 0.47599(4) 0.02258(17) Uani 1 2 d S . . Bi5 Bi 0.69714(4) -0.7500 0.45215(4) 0.01860(16) Uani 1 2 d S . . Bi6 Bi 1.01360(4) 0.2500 0.25240(4) 0.01967(17) Uani 1 2 d S . . Bi7 Bi 0.49399(4) -1.2500 0.38960(4) 0.02139(17) Uani 1 2 d S . . Se1 Se 0.98414(11) 0.2500 0.40466(10) 0.0204(4) Uani 1 2 d S . . Se2 Se 1.04164(10) 0.2500 0.09196(9) 0.0154(4) Uani 1 2 d S . . Se3 Se 0.80736(10) 0.2500 0.05800(11) 0.0223(4) Uani 1 2 d S . . Se4 Se 0.39027(11) -1.2500 0.27796(10) 0.0232(4) Uani 1 2 d S . . Se5 Se 0.81308(10) -0.7500 0.55648(9) 0.0204(4) Uani 1 2 d S . . Se6 Se 0.77193(10) -0.2500 0.37274(9) 0.0198(4) Uani 1 2 d S . . Se7 Se 0.89812(10) 0.7500 0.22504(9) 0.0181(4) Uani 1 2 d S . . Se8 Se 1.13059(10) -0.2500 0.26587(9) 0.0182(4) Uani 1 2 d S . . Se9 Se 0.63720(12) -0.2500 0.16509(10) 0.0251(5) Uani 1 2 d S . . Se10 Se 0.42429(10) -0.2500 0.00923(10) 0.0198(4) Uani 1 2 d S . . Se11 Se 0.57844(11) -0.7500 0.32479(10) 0.0223(4) Uani 1 2 d S . . Se12 Se 0.72490(10) -0.2500 -0.14746(10) 0.0208(4) Uani 1 2 d S . . Se13 Se 0.60810(12) -1.2500 0.53441(10) 0.0250(5) Uani 1 2 d S . . Bi9 Bi 0.7352(3) -0.7500 0.2025(3) 0.0251(13) Uiso 0.322(8) 2 d SP . . K1 K 0.7555(5) -0.7500 0.2358(5) 0.0124(18) Uiso 0.540(11) 2 d SP . . Bi91 Bi 0.7106(5) -0.7500 0.2201(4) 0.022(2) Uiso 0.162(8) 2 d SP . . Bi8 Bi 0.6998(3) -0.2500 -0.3330(8) 0.0256(15) Uiso 0.31(3) 2 d SP . . K3 K 0.7373(6) -0.2500 -0.3319(4) 0.0116(19) Uiso 0.502(11) 2 d SP . . Bi81 Bi 0.7000(3) -0.2500 -0.3156(11) 0.021(2) Uiso 0.21(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 Rb2 0.0446(13) 0.0406(15) 0.0365(13) 0.000 0.0067(10) 0.000 Bi1 0.0191(3) 0.0187(4) 0.0177(4) 0.000 0.0014(3) 0.000 Bi2 0.0182(3) 0.0177(4) 0.0176(3) 0.000 0.0021(3) 0.000 Bi3 0.0148(3) 0.0149(4) 0.0212(4) 0.000 0.0005(3) 0.000 Bi4 0.0202(4) 0.0202(4) 0.0274(4) 0.000 0.0019(3) 0.000 Bi5 0.0182(3) 0.0180(4) 0.0197(4) 0.000 0.0023(3) 0.000 Bi6 0.0217(4) 0.0183(4) 0.0191(4) 0.000 0.0019(3) 0.000 Bi7 0.0206(4) 0.0224(4) 0.0212(4) 0.000 0.0009(3) 0.000 Se1 0.0223(10) 0.0232(11) 0.0158(9) 0.000 0.0032(7) 0.000 Se2 0.0149(9) 0.0153(10) 0.0160(9) 0.000 0.0012(7) 0.000 Se3 0.0153(9) 0.0163(11) 0.0352(11) 0.000 -0.0063(8) 0.000 Se4 0.0245(10) 0.0248(12) 0.0205(10) 0.000 -0.0015(8) 0.000 Se5 0.0221(10) 0.0245(11) 0.0147(9) 0.000 -0.0010(7) 0.000 Se6 0.0198(10) 0.0232(11) 0.0164(9) 0.000 0.0024(7) 0.000 Se7 0.0177(9) 0.0196(11) 0.0171(9) 0.000 0.0033(7) 0.000 Se8 0.0196(9) 0.0193(11) 0.0157(9) 0.000 0.0008(7) 0.000 Se9 0.0314(11) 0.0228(12) 0.0212(10) 0.000 0.0044(8) 0.000 Se10 0.0178(9) 0.0130(10) 0.0285(10) 0.000 -0.0022(8) 0.000 Se11 0.0281(10) 0.0188(11) 0.0202(10) 0.000 0.0073(8) 0.000 Se12 0.0150(9) 0.0176(11) 0.0299(11) 0.000 0.0033(8) 0.000 Se13 0.0325(11) 0.0158(10) 0.0270(11) 0.000 0.0145(9) 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 Rb2 Se4 3.460(2) . ? Rb2 Se4 3.460(2) 1_565 ? Rb2 Se9 3.476(3) 1_545 ? Rb2 Se9 3.476(3) . ? Rb2 Se10 3.507(3) 3_645 ? Rb2 Se11 3.558(3) . ? Rb2 Se10 3.564(2) . ? Rb2 Se10 3.564(2) 1_545 ? Rb2 Se12 3.595(3) 3_645 ? Rb2 Rb2 4.1924(7) 1_565 ? Rb2 Rb2 4.1924(7) 1_545 ? Rb2 Bi3 4.214(3) 3_645 ? Bi1 Se7 2.7304(19) . ? Bi1 Se3 2.9043(14) 1_565 ? Bi1 Se3 2.9043(14) . ? Bi1 Se2 3.0046(14) . ? Bi1 Se2 3.0047(14) 1_565 ? Bi1 Se2 3.2392(18) 3_765 ? Bi2 Se8 2.7326(19) . ? Bi2 Se12 2.8030(14) 3_755 ? Bi2 Se12 2.8030(14) 3_745 ? Bi2 Se2 3.1569(14) 1_545 ? Bi2 Se2 3.1569(14) . ? Bi3 Se10 2.7647(13) 3_645 ? Bi3 Se10 2.7647(13) 3_655 ? Bi3 Se9 2.769(2) . ? Bi3 Se3 3.2205(15) . ? Bi3 Se3 3.2206(15) 1_545 ? Bi3 Se12 3.226(2) . ? Bi3 Rb2 4.214(3) 3_645 ? Bi4 Se6 2.867(2) . ? Bi4 Se1 2.9407(14) . ? Bi4 Se1 2.9407(14) 1_545 ? Bi4 Se5 2.9464(14) . ? Bi4 Se5 2.9464(14) 1_565 ? Bi4 Se1 3.060(2) 3_756 ? Bi5 Se5 2.797(2) . ? Bi5 Se6 2.8816(13) 1_545 ? Bi5 Se6 2.8817(13) . ? Bi5 Se13 3.0313(14) . ? Bi5 Se13 3.0314(14) 1_565 ? Bi5 Se11 3.136(2) . ? Bi5 K1 4.137(8) . ? Bi6 Se1 2.8672(19) . ? Bi6 Se8 2.9450(14) 1_565 ? Bi6 Se8 2.9450(14) . ? Bi6 Se7 2.9584(14) . ? Bi6 Se7 2.9585(14) 1_545 ? Bi6 Se2 3.0119(18) . ? Bi7 Se4 2.745(2) . ? Bi7 Se11 2.8383(13) 1_545 ? Bi7 Se11 2.8383(13) . ? Bi7 Se13 3.1017(15) 3_626 ? Bi7 Se13 3.1017(15) 3_636 ? Se1 Bi4 2.9408(14) 1_565 ? Se1 Bi4 3.060(2) 3_756 ? Se2 Bi1 3.0046(14) 1_545 ? Se2 Bi2 3.1570(14) 1_565 ? Se2 Bi1 3.2392(18) 3_765 ? Se3 Bi1 2.9043(14) 1_545 ? Se3 Bi9 2.966(6) 1_565 ? Se3 Bi3 3.2205(15) 1_565 ? Se3 K1 3.420(8) 1_565 ? Se4 Bi81 2.722(7) 3_635 ? Se4 Bi81 2.722(7) 3_645 ? Se4 Bi8 2.821(6) 3_635 ? Se4 Bi8 2.821(6) 3_645 ? Se4 K3 3.232(8) 3_635 ? Se4 K3 3.232(8) 3_645 ? Se4 Rb2 3.460(2) 1_545 ? Se5 Bi4 2.9463(14) 1_545 ? Se5 K3 3.235(7) 1_556 ? Se5 K3 3.235(7) 1_546 ? Se6 Bi5 2.8817(13) 1_565 ? Se6 K1 3.299(7) 1_565 ? Se6 K1 3.299(7) . ? Se7 Bi6 2.9584(14) 1_565 ? Se7 K1 3.274(6) 1_565 ? Se7 K1 3.274(6) 1_575 ? Se8 Bi6 2.9450(14) 1_545 ? Se8 K3 3.351(8) 3_755 ? Se8 K3 3.351(8) 3_745 ? Se9 Bi91 2.660(4) 1_565 ? Se9 Bi91 2.660(4) . ? Se9 Bi9 2.797(3) . ? Se9 Bi9 2.797(3) 1_565 ? Se9 K1 3.223(7) . ? Se9 K1 3.223(7) 1_565 ? Se9 Rb2 3.476(3) 1_565 ? Se10 Bi3 2.7647(13) 3_645 ? Se10 Bi3 2.7647(13) 3_655 ? Se10 Rb2 3.507(3) 3_645 ? Se10 Rb2 3.564(2) 1_565 ? Se11 Bi7 2.8383(13) 1_565 ? Se11 Bi91 3.034(11) . ? Se11 K1 3.528(7) . ? Se12 Bi2 2.8029(14) 3_755 ? Se12 Bi2 2.8029(14) 3_745 ? Se12 Bi81 3.14(2) . ? Se12 K3 3.420(8) . ? Se12 Rb2 3.595(3) 3_645 ? Se13 Bi8 2.925(14) 1_546 ? Se13 Bi5 3.0313(14) 1_545 ? Se13 Bi7 3.1017(15) 3_626 ? Se13 Bi7 3.1017(15) 3_636 ? Se13 Bi81 3.201(18) 1_546 ? Se13 K3 3.346(10) 1_546 ? Bi9 Bi91 0.543(7) . ? Bi9 K1 0.711(8) . ? Bi9 Se9 2.797(3) 1_545 ? Bi9 Se3 2.966(6) 1_545 ? Bi9 K1 4.2522(15) 1_565 ? Bi9 K1 4.2522(15) 1_545 ? K1 Bi91 0.839(11) . ? K1 Se9 3.223(7) 1_545 ? K1 Se7 3.274(6) 1_545 ? K1 Se7 3.274(6) 1_535 ? K1 Se6 3.299(7) 1_545 ? K1 Se3 3.420(8) 1_545 ? K1 K1 4.1924(7) 1_565 ? Bi91 Se9 2.660(4) 1_545 ? Bi91 K1 4.276(2) 1_565 ? Bi91 K1 4.276(2) 1_545 ? Bi8 K3 0.660(9) . ? Bi8 Se4 2.821(6) 3_635 ? Bi8 Se4 2.821(6) 3_645 ? Bi8 Se13 2.925(14) 1_564 ? Bi8 K3 4.2440(16) 1_565 ? Bi8 K3 4.2440(16) 1_545 ? Bi8 Rb2 4.556(11) 3_645 ? K3 Bi81 0.724(14) . ? K3 Se4 3.232(8) 3_635 ? K3 Se4 3.232(8) 3_645 ? K3 Se5 3.235(7) 1_554 ? K3 Se5 3.235(7) 1_564 ? K3 Se13 3.346(10) 1_564 ? K3 Se8 3.351(8) 3_755 ? K3 Se8 3.351(8) 3_745 ? K3 K3 4.1924(7) 1_565 ? K3 K3 4.1924(7) 1_545 ? Bi81 Se4 2.722(7) 3_635 ? Bi81 Se4 2.722(7) 3_645 ? Bi81 Se13 3.200(18) 1_564 ? Bi81 K3 4.254(2) 1_565 ? Bi81 K3 4.254(2) 1_545 ? Bi81 Rb2 4.332(15) 3_645 ? 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 Se4 Rb2 Se4 74.59(6) . 1_565 ? Se4 Rb2 Se9 88.21(5) . 1_545 ? Se4 Rb2 Se9 134.40(8) 1_565 1_545 ? Se4 Rb2 Se9 134.40(8) . . ? Se4 Rb2 Se9 88.21(5) 1_565 . ? Se9 Rb2 Se9 74.18(6) 1_545 . ? Se4 Rb2 Se10 142.30(3) . 3_645 ? Se4 Rb2 Se10 142.30(3) 1_565 3_645 ? Se9 Rb2 Se10 69.68(5) 1_545 3_645 ? Se9 Rb2 Se10 69.68(5) . 3_645 ? Se4 Rb2 Se11 69.57(6) . . ? Se4 Rb2 Se11 69.57(6) 1_565 . ? Se9 Rb2 Se11 64.85(6) 1_545 . ? Se9 Rb2 Se11 64.85(6) . . ? Se10 Rb2 Se11 122.00(8) 3_645 . ? Se4 Rb2 Se10 136.92(8) . . ? Se4 Rb2 Se10 91.02(5) 1_565 . ? Se9 Rb2 Se10 127.11(7) 1_545 . ? Se9 Rb2 Se10 83.91(5) . . ? Se10 Rb2 Se10 57.58(5) 3_645 . ? Se11 Rb2 Se10 142.91(4) . . ? Se4 Rb2 Se10 91.02(5) . 1_545 ? Se4 Rb2 Se10 136.92(8) 1_565 1_545 ? Se9 Rb2 Se10 83.91(5) 1_545 1_545 ? Se9 Rb2 Se10 127.11(7) . 1_545 ? Se10 Rb2 Se10 57.58(5) 3_645 1_545 ? Se11 Rb2 Se10 142.91(4) . 1_545 ? Se10 Rb2 Se10 72.04(6) . 1_545 ? Se4 Rb2 Se12 64.67(5) . 3_645 ? Se4 Rb2 Se12 64.67(5) 1_565 3_645 ? Se9 Rb2 Se12 142.90(3) 1_545 3_645 ? Se9 Rb2 Se12 142.90(3) . 3_645 ? Se10 Rb2 Se12 116.56(8) 3_645 3_645 ? Se11 Rb2 Se12 121.44(7) . 3_645 ? Se10 Rb2 Se12 72.43(6) . 3_645 ? Se10 Rb2 Se12 72.43(6) 1_545 3_645 ? Se4 Rb2 Rb2 127.30(3) . 1_565 ? Se4 Rb2 Rb2 52.71(3) 1_565 1_565 ? Se9 Rb2 Rb2 127.09(3) 1_545 1_565 ? Se9 Rb2 Rb2 52.91(3) . 1_565 ? Se10 Rb2 Rb2 90.0 3_645 1_565 ? Se11 Rb2 Rb2 90.0 . 1_565 ? Se10 Rb2 Rb2 53.98(3) . 1_565 ? Se10 Rb2 Rb2 126.02(3) 1_545 1_565 ? Se12 Rb2 Rb2 90.0 3_645 1_565 ? Se4 Rb2 Rb2 52.71(3) . 1_545 ? Se4 Rb2 Rb2 127.29(3) 1_565 1_545 ? Se9 Rb2 Rb2 52.91(3) 1_545 1_545 ? Se9 Rb2 Rb2 127.09(3) . 1_545 ? Se10 Rb2 Rb2 90.0 3_645 1_545 ? Se11 Rb2 Rb2 90.0 . 1_545 ? Se10 Rb2 Rb2 126.02(3) . 1_545 ? Se10 Rb2 Rb2 53.98(3) 1_545 1_545 ? Se12 Rb2 Rb2 90.0 3_645 1_545 ? Rb2 Rb2 Rb2 180.0 1_565 1_545 ? Se4 Rb2 Bi3 102.25(6) . 3_645 ? Se4 Rb2 Bi3 102.25(6) 1_565 3_645 ? Se9 Rb2 Bi3 122.78(6) 1_545 3_645 ? Se9 Rb2 Bi3 122.79(6) . 3_645 ? Se10 Rb2 Bi3 68.56(5) 3_645 3_645 ? Se11 Rb2 Bi3 169.44(7) . 3_645 ? Se10 Rb2 Bi3 40.57(3) . 3_645 ? Se10 Rb2 Bi3 40.57(3) 1_545 3_645 ? Se12 Rb2 Bi3 48.00(4) 3_645 3_645 ? Rb2 Rb2 Bi3 90.0 1_565 3_645 ? Rb2 Rb2 Bi3 90.0 1_545 3_645 ? Se7 Bi1 Se3 91.91(5) . 1_565 ? Se7 Bi1 Se3 91.91(5) . . ? Se3 Bi1 Se3 92.40(6) 1_565 . ? Se7 Bi1 Se2 91.44(5) . . ? Se3 Bi1 Se2 176.11(5) 1_565 . ? Se3 Bi1 Se2 89.46(4) . . ? Se7 Bi1 Se2 91.43(5) . 1_565 ? Se3 Bi1 Se2 89.46(4) 1_565 1_565 ? Se3 Bi1 Se2 176.11(5) . 1_565 ? Se2 Bi1 Se2 88.48(5) . 1_565 ? Se7 Bi1 Se2 175.93(5) . 3_765 ? Se3 Bi1 Se2 90.91(5) 1_565 3_765 ? Se3 Bi1 Se2 90.91(5) . 3_765 ? Se2 Bi1 Se2 85.65(4) . 3_765 ? Se2 Bi1 Se2 85.65(4) 1_565 3_765 ? Se8 Bi2 Se12 91.45(5) . 3_755 ? Se8 Bi2 Se12 91.45(5) . 3_745 ? Se12 Bi2 Se12 96.81(6) 3_755 3_745 ? Se8 Bi2 Se2 88.95(4) . 1_545 ? Se12 Bi2 Se2 173.18(4) 3_755 1_545 ? Se12 Bi2 Se2 89.99(4) 3_745 1_545 ? Se8 Bi2 Se2 88.96(4) . . ? Se12 Bi2 Se2 89.99(4) 3_755 . ? Se12 Bi2 Se2 173.18(4) 3_745 . ? Se2 Bi2 Se2 83.21(5) 1_545 . ? Se10 Bi3 Se10 98.61(6) 3_645 3_655 ? Se10 Bi3 Se9 92.26(5) 3_645 . ? Se10 Bi3 Se9 92.26(5) 3_655 . ? Se10 Bi3 Se3 171.29(4) 3_645 . ? Se10 Bi3 Se3 90.08(4) 3_655 . ? Se9 Bi3 Se3 87.74(5) . . ? Se10 Bi3 Se3 90.08(4) 3_645 1_545 ? Se10 Bi3 Se3 171.29(4) 3_655 1_545 ? Se9 Bi3 Se3 87.74(5) . 1_545 ? Se3 Bi3 Se3 81.22(5) . 1_545 ? Se10 Bi3 Se12 89.49(5) 3_645 . ? Se10 Bi3 Se12 89.49(5) 3_655 . ? Se9 Bi3 Se12 177.32(6) . . ? Se3 Bi3 Se12 90.23(5) . . ? Se3 Bi3 Se12 90.23(5) 1_545 . ? Se10 Bi3 Rb2 56.98(4) 3_645 3_645 ? Se10 Bi3 Rb2 56.98(4) 3_655 3_645 ? Se9 Bi3 Rb2 126.77(6) . 3_645 ? Se3 Bi3 Rb2 129.12(4) . 3_645 ? Se3 Bi3 Rb2 129.12(4) 1_545 3_645 ? Se12 Bi3 Rb2 55.91(5) . 3_645 ? Se6 Bi4 Se1 95.93(5) . . ? Se6 Bi4 Se1 95.93(5) . 1_545 ? Se1 Bi4 Se1 90.93(5) . 1_545 ? Se6 Bi4 Se5 88.42(5) . . ? Se1 Bi4 Se5 175.64(6) . . ? Se1 Bi4 Se5 89.02(4) 1_545 . ? Se6 Bi4 Se5 88.42(5) . 1_565 ? Se1 Bi4 Se5 89.02(4) . 1_565 ? Se1 Bi4 Se5 175.64(6) 1_545 1_565 ? Se5 Bi4 Se5 90.71(5) . 1_565 ? Se6 Bi4 Se1 175.58(5) . 3_756 ? Se1 Bi4 Se1 87.16(5) . 3_756 ? Se1 Bi4 Se1 87.16(5) 1_545 3_756 ? Se5 Bi4 Se1 88.48(5) . 3_756 ? Se5 Bi4 Se1 88.48(5) 1_565 3_756 ? Se5 Bi5 Se6 91.11(5) . 1_545 ? Se5 Bi5 Se6 91.11(5) . . ? Se6 Bi5 Se6 93.34(5) 1_545 . ? Se5 Bi5 Se13 91.69(5) . . ? Se6 Bi5 Se13 89.51(4) 1_545 . ? Se6 Bi5 Se13 175.97(5) . . ? Se5 Bi5 Se13 91.69(5) . 1_565 ? Se6 Bi5 Se13 175.97(5) 1_545 1_565 ? Se6 Bi5 Se13 89.51(4) . 1_565 ? Se13 Bi5 Se13 87.50(5) . 1_565 ? Se5 Bi5 Se11 174.94(5) . . ? Se6 Bi5 Se11 85.42(5) 1_545 . ? Se6 Bi5 Se11 85.42(5) . . ? Se13 Bi5 Se11 91.97(5) . . ? Se13 Bi5 Se11 91.97(5) 1_565 . ? Se5 Bi5 K1 118.92(13) . . ? Se6 Bi5 K1 52.43(6) 1_545 . ? Se6 Bi5 K1 52.43(6) . . ? Se13 Bi5 K1 128.14(7) . . ? Se13 Bi5 K1 128.14(7) 1_565 . ? Se11 Bi5 K1 56.02(13) . . ? Se1 Bi6 Se8 92.71(5) . 1_565 ? Se1 Bi6 Se8 92.71(5) . . ? Se8 Bi6 Se8 90.76(6) 1_565 . ? Se1 Bi6 Se7 92.29(5) . . ? Se8 Bi6 Se7 89.28(4) 1_565 . ? Se8 Bi6 Se7 174.98(5) . . ? Se1 Bi6 Se7 92.29(5) . 1_545 ? Se8 Bi6 Se7 174.98(5) 1_565 1_545 ? Se8 Bi6 Se7 89.28(4) . 1_545 ? Se7 Bi6 Se7 90.23(6) . 1_545 ? Se1 Bi6 Se2 179.01(6) . . ? Se8 Bi6 Se2 87.98(4) 1_565 . ? Se8 Bi6 Se2 87.98(4) . . ? Se7 Bi6 Se2 87.01(4) . . ? Se7 Bi6 Se2 87.01(4) 1_545 . ? Se4 Bi7 Se11 91.63(5) . 1_545 ? Se4 Bi7 Se11 91.63(5) . . ? Se11 Bi7 Se11 95.22(6) 1_545 . ? Se4 Bi7 Se13 87.60(5) . 3_626 ? Se11 Bi7 Se13 89.87(4) 1_545 3_626 ? Se11 Bi7 Se13 174.88(4) . 3_626 ? Se4 Bi7 Se13 87.60(5) . 3_636 ? Se11 Bi7 Se13 174.88(4) 1_545 3_636 ? Se11 Bi7 Se13 89.87(4) . 3_636 ? Se13 Bi7 Se13 85.04(5) 3_626 3_636 ? Bi6 Se1 Bi4 122.79(5) . . ? Bi6 Se1 Bi4 122.79(5) . 1_565 ? Bi4 Se1 Bi4 90.93(5) . 1_565 ? Bi6 Se1 Bi4 125.40(7) . 3_756 ? Bi4 Se1 Bi4 92.84(5) . 3_756 ? Bi4 Se1 Bi4 92.84(5) 1_565 3_756 ? Bi1 Se2 Bi1 88.48(5) 1_545 . ? Bi1 Se2 Bi6 87.56(4) 1_545 . ? Bi1 Se2 Bi6 87.56(4) . . ? Bi1 Se2 Bi2 93.85(2) 1_545 . ? Bi1 Se2 Bi2 173.56(6) . . ? Bi6 Se2 Bi2 86.54(4) . . ? Bi1 Se2 Bi2 173.55(6) 1_545 1_565 ? Bi1 Se2 Bi2 93.854(19) . 1_565 ? Bi6 Se2 Bi2 86.54(4) . 1_565 ? Bi2 Se2 Bi2 83.21(5) . 1_565 ? Bi1 Se2 Bi1 94.35(4) 1_545 3_765 ? Bi1 Se2 Bi1 94.35(4) . 3_765 ? Bi6 Se2 Bi1 177.33(6) . 3_765 ? Bi2 Se2 Bi1 91.47(4) . 3_765 ? Bi2 Se2 Bi1 91.47(4) 1_565 3_765 ? Bi1 Se3 Bi1 92.40(6) . 1_545 ? Bi1 Se3 Bi9 100.00(7) . 1_565 ? Bi1 Se3 Bi9 100.00(7) 1_545 1_565 ? Bi1 Se3 Bi3 93.04(2) . 1_565 ? Bi1 Se3 Bi3 173.06(6) 1_545 1_565 ? Bi9 Se3 Bi3 83.28(7) 1_565 1_565 ? Bi1 Se3 Bi3 173.06(6) . . ? Bi1 Se3 Bi3 93.05(2) 1_545 . ? Bi9 Se3 Bi3 83.28(7) 1_565 . ? Bi3 Se3 Bi3 81.22(5) 1_565 . ? Bi1 Se3 K1 93.24(11) . 1_565 ? Bi1 Se3 K1 93.24(11) 1_545 1_565 ? Bi9 Se3 K1 9.84(15) 1_565 1_565 ? Bi3 Se3 K1 90.74(12) 1_565 1_565 ? Bi3 Se3 K1 90.74(12) . 1_565 ? Bi81 Se4 Bi81 100.7(3) 3_635 3_645 ? Bi81 Se4 Bi7 101.1(4) 3_635 . ? Bi81 Se4 Bi7 101.1(4) 3_645 . ? Bi81 Se4 Bi8 6.33(18) 3_635 3_635 ? Bi81 Se4 Bi8 98.7(3) 3_645 3_635 ? Bi7 Se4 Bi8 95.7(3) . 3_635 ? Bi81 Se4 Bi8 98.7(3) 3_635 3_645 ? Bi81 Se4 Bi8 6.33(18) 3_645 3_645 ? Bi7 Se4 Bi8 95.7(3) . 3_645 ? Bi8 Se4 Bi8 96.0(3) 3_635 3_645 ? Bi81 Se4 K3 9.9(2) 3_635 3_635 ? Bi81 Se4 K3 90.8(2) 3_645 3_635 ? Bi7 Se4 K3 103.07(17) . 3_635 ? Bi8 Se4 K3 9.80(14) 3_635 3_635 ? Bi8 Se4 K3 88.77(17) 3_645 3_635 ? Bi81 Se4 K3 90.8(2) 3_635 3_645 ? Bi81 Se4 K3 9.9(2) 3_645 3_645 ? Bi7 Se4 K3 103.07(17) . 3_645 ? Bi8 Se4 K3 88.77(17) 3_635 3_645 ? Bi8 Se4 K3 9.80(14) 3_645 3_645 ? K3 Se4 K3 80.9(2) 3_635 3_645 ? Bi81 Se4 Rb2 154.2(4) 3_635 . ? Bi81 Se4 Rb2 88.1(3) 3_645 . ? Bi7 Se4 Rb2 100.82(6) . . ? Bi8 Se4 Rb2 160.6(3) 3_635 . ? Bi8 Se4 Rb2 92.4(2) 3_645 . ? K3 Se4 Rb2 155.83(17) 3_635 . ? K3 Se4 Rb2 97.26(11) 3_645 . ? Bi81 Se4 Rb2 88.1(3) 3_635 1_545 ? Bi81 Se4 Rb2 154.2(4) 3_645 1_545 ? Bi7 Se4 Rb2 100.82(6) . 1_545 ? Bi8 Se4 Rb2 92.4(2) 3_635 1_545 ? Bi8 Se4 Rb2 160.6(3) 3_645 1_545 ? K3 Se4 Rb2 97.26(11) 3_635 1_545 ? K3 Se4 Rb2 155.83(17) 3_645 1_545 ? Rb2 Se4 Rb2 74.59(6) . 1_545 ? Bi5 Se5 Bi4 90.27(5) . 1_545 ? Bi5 Se5 Bi4 90.27(5) . . ? Bi4 Se5 Bi4 90.71(5) 1_545 . ? Bi5 Se5 K3 98.04(18) . 1_556 ? Bi4 Se5 K3 170.57(16) 1_545 1_556 ? Bi4 Se5 K3 93.70(11) . 1_556 ? Bi5 Se5 K3 98.04(18) . 1_546 ? Bi4 Se5 K3 93.70(11) 1_545 1_546 ? Bi4 Se5 K3 170.57(16) . 1_546 ? K3 Se5 K3 80.8(2) 1_556 1_546 ? Bi4 Se6 Bi5 90.18(5) . . ? Bi4 Se6 Bi5 90.18(5) . 1_565 ? Bi5 Se6 Bi5 93.34(5) . 1_565 ? Bi4 Se6 K1 124.95(15) . 1_565 ? Bi5 Se6 K1 144.65(16) . 1_565 ? Bi5 Se6 K1 83.75(10) 1_565 1_565 ? Bi4 Se6 K1 124.95(15) . . ? Bi5 Se6 K1 83.75(10) . . ? Bi5 Se6 K1 144.65(16) 1_565 . ? K1 Se6 K1 78.9(2) 1_565 . ? Bi1 Se7 Bi6 93.98(4) . . ? Bi1 Se7 Bi6 93.98(4) . 1_565 ? Bi6 Se7 Bi6 90.23(6) . 1_565 ? Bi1 Se7 K1 99.91(16) . 1_565 ? Bi6 Se7 K1 93.45(10) . 1_565 ? Bi6 Se7 K1 165.33(15) 1_565 1_565 ? Bi1 Se7 K1 99.91(16) . 1_575 ? Bi6 Se7 K1 165.33(15) . 1_575 ? Bi6 Se7 K1 93.45(10) 1_565 1_575 ? K1 Se7 K1 79.62(18) 1_565 1_575 ? Bi2 Se8 Bi6 96.24(5) . 1_545 ? Bi2 Se8 Bi6 96.24(5) . . ? Bi6 Se8 Bi6 90.76(6) 1_545 . ? Bi2 Se8 K3 99.35(15) . 3_755 ? Bi6 Se8 K3 163.16(14) 1_545 3_755 ? Bi6 Se8 K3 93.82(12) . 3_755 ? Bi2 Se8 K3 99.35(15) . 3_745 ? Bi6 Se8 K3 93.82(12) 1_545 3_745 ? Bi6 Se8 K3 163.16(14) . 3_745 ? K3 Se8 K3 77.4(2) 3_755 3_745 ? Bi91 Se9 Bi91 104.0(2) 1_565 . ? Bi91 Se9 Bi3 104.8(2) 1_565 . ? Bi91 Se9 Bi3 104.8(2) . . ? Bi91 Se9 Bi9 101.54(16) 1_565 . ? Bi91 Se9 Bi9 11.06(15) . . ? Bi3 Se9 Bi9 95.35(12) . . ? Bi91 Se9 Bi9 11.06(15) 1_565 1_565 ? Bi91 Se9 Bi9 101.54(16) . 1_565 ? Bi3 Se9 Bi9 95.35(12) . 1_565 ? Bi9 Se9 Bi9 97.10(14) . 1_565 ? Bi91 Se9 K1 92.74(18) 1_565 . ? Bi91 Se9 K1 12.19(17) . . ? Bi3 Se9 K1 103.93(14) . . ? Bi9 Se9 K1 10.86(11) . . ? Bi9 Se9 K1 89.59(15) 1_565 . ? Bi91 Se9 K1 12.19(17) 1_565 1_565 ? Bi91 Se9 K1 92.74(18) . 1_565 ? Bi3 Se9 K1 103.93(14) . 1_565 ? Bi9 Se9 K1 89.59(15) . 1_565 ? Bi9 Se9 K1 10.86(11) 1_565 1_565 ? K1 Se9 K1 81.1(2) . 1_565 ? Bi91 Se9 Rb2 85.79(17) 1_565 1_565 ? Bi91 Se9 Rb2 151.3(2) . 1_565 ? Bi3 Se9 Rb2 98.34(6) . 1_565 ? Bi9 Se9 Rb2 162.28(13) . 1_565 ? Bi9 Se9 Rb2 92.78(8) 1_565 1_565 ? K1 Se9 Rb2 157.28(15) . 1_565 ? K1 Se9 Rb2 97.93(11) 1_565 1_565 ? Bi91 Se9 Rb2 151.3(2) 1_565 . ? Bi91 Se9 Rb2 85.79(17) . . ? Bi3 Se9 Rb2 98.34(6) . . ? Bi9 Se9 Rb2 92.78(8) . . ? Bi9 Se9 Rb2 162.28(13) 1_565 . ? K1 Se9 Rb2 97.93(11) . . ? K1 Se9 Rb2 157.28(15) 1_565 . ? Rb2 Se9 Rb2 74.18(6) 1_565 . ? Bi3 Se10 Bi3 98.61(6) 3_645 3_655 ? Bi3 Se10 Rb2 97.70(5) 3_645 3_645 ? Bi3 Se10 Rb2 97.70(5) 3_655 3_645 ? Bi3 Se10 Rb2 139.50(7) 3_645 1_565 ? Bi3 Se10 Rb2 82.45(4) 3_655 1_565 ? Rb2 Se10 Rb2 122.42(5) 3_645 1_565 ? Bi3 Se10 Rb2 82.45(4) 3_645 . ? Bi3 Se10 Rb2 139.50(7) 3_655 . ? Rb2 Se10 Rb2 122.42(5) 3_645 . ? Rb2 Se10 Rb2 72.05(6) 1_565 . ? Bi7 Se11 Bi7 95.21(6) . 1_565 ? Bi7 Se11 Bi91 132.39(3) . . ? Bi7 Se11 Bi91 132.39(3) 1_565 . ? Bi7 Se11 Bi5 91.69(5) . . ? Bi7 Se11 Bi5 91.69(5) 1_565 . ? Bi91 Se11 Bi5 88.39(12) . . ? Bi7 Se11 K1 131.44(4) . . ? Bi7 Se11 K1 131.44(4) 1_565 . ? Bi91 Se11 K1 11.89(18) . . ? Bi5 Se11 K1 76.50(16) . . ? Bi7 Se11 Rb2 96.70(6) . . ? Bi7 Se11 Rb2 96.70(6) 1_565 . ? Bi91 Se11 Rb2 79.15(12) . . ? Bi5 Se11 Rb2 167.53(7) . . ? K1 Se11 Rb2 91.04(17) . . ? Bi2 Se12 Bi2 96.81(6) 3_755 3_745 ? Bi2 Se12 Bi81 103.94(9) 3_755 . ? Bi2 Se12 Bi81 103.94(9) 3_745 . ? Bi2 Se12 Bi3 91.91(5) 3_755 . ? Bi2 Se12 Bi3 91.91(5) 3_745 . ? Bi81 Se12 Bi3 155.85(13) . . ? Bi2 Se12 K3 96.35(12) 3_755 . ? Bi2 Se12 K3 96.35(12) 3_745 . ? Bi81 Se12 K3 11.7(2) . . ? Bi3 Se12 K3 167.53(19) . . ? Bi2 Se12 Rb2 130.66(3) 3_755 3_645 ? Bi2 Se12 Rb2 130.66(3) 3_745 3_645 ? Bi81 Se12 Rb2 79.76(13) . 3_645 ? Bi3 Se12 Rb2 76.09(5) . 3_645 ? K3 Se12 Rb2 91.44(19) . 3_645 ? Bi8 Se13 Bi5 97.92(13) 1_546 1_545 ? Bi8 Se13 Bi5 97.92(13) 1_546 . ? Bi5 Se13 Bi5 87.50(5) 1_545 . ? Bi8 Se13 Bi7 86.38(13) 1_546 3_626 ? Bi5 Se13 Bi7 93.559(18) 1_545 3_626 ? Bi5 Se13 Bi7 175.39(8) . 3_626 ? Bi8 Se13 Bi7 86.38(13) 1_546 3_636 ? Bi5 Se13 Bi7 175.39(8) 1_545 3_636 ? Bi5 Se13 Bi7 93.560(18) . 3_636 ? Bi7 Se13 Bi7 85.03(5) 3_626 3_636 ? Bi8 Se13 Bi81 3.12(16) 1_546 1_546 ? Bi5 Se13 Bi81 100.15(16) 1_545 1_546 ? Bi5 Se13 Bi81 100.15(16) . 1_546 ? Bi7 Se13 Bi81 84.08(16) 3_626 1_546 ? Bi7 Se13 Bi81 84.08(16) 3_636 1_546 ? Bi8 Se13 K3 9.3(2) 1_546 1_546 ? Bi5 Se13 K3 91.22(12) 1_545 1_546 ? Bi5 Se13 K3 91.22(12) . 1_546 ? Bi7 Se13 K3 93.24(13) 3_626 1_546 ? Bi7 Se13 K3 93.24(13) 3_636 1_546 ? Bi81 Se13 K3 12.4(2) 1_546 1_546 ? Bi91 Bi9 K1 82.9(10) . . ? Bi91 Bi9 Se9 69.9(5) . . ? K1 Bi9 Se9 121.3(4) . . ? Bi91 Bi9 Se9 69.9(5) . 1_545 ? K1 Bi9 Se9 121.3(4) . 1_545 ? Se9 Bi9 Se9 97.10(14) . 1_545 ? Bi91 Bi9 Se3 152.5(8) . 1_545 ? K1 Bi9 Se3 124.6(8) . 1_545 ? Se9 Bi9 Se3 92.48(12) . 1_545 ? Se9 Bi9 Se3 92.48(12) 1_545 1_545 ? Bi91 Bi9 K1 88.81(16) . 1_565 ? K1 Bi9 K1 80.38(11) . 1_565 ? Se9 Bi9 K1 49.29(13) . 1_565 ? Se9 Bi9 K1 145.66(17) 1_545 1_565 ? Se3 Bi9 K1 95.45(11) 1_545 1_565 ? Bi91 Bi9 K1 88.81(16) . 1_545 ? K1 Bi9 K1 80.38(11) . 1_545 ? Se9 Bi9 K1 145.66(17) . 1_545 ? Se9 Bi9 K1 49.29(13) 1_545 1_545 ? Se3 Bi9 K1 95.45(11) 1_545 1_545 ? K1 Bi9 K1 160.8(2) 1_565 1_545 ? Bi91 Bi9 Rb2 47.6(7) . . ? K1 Bi9 Rb2 130.5(8) . . ? Se9 Bi9 Rb2 49.50(8) . . ? Se9 Bi9 Rb2 49.50(8) 1_545 . ? Se3 Bi9 Rb2 104.90(10) 1_545 . ? K1 Bi9 Rb2 96.23(13) 1_565 . ? K1 Bi9 Rb2 96.23(13) 1_545 . ? Bi9 K1 Bi91 40.0(6) . . ? Bi9 K1 Se9 47.9(4) . . ? Bi91 K1 Se9 42.0(2) . . ? Bi9 K1 Se9 47.9(4) . 1_545 ? Bi91 K1 Se9 42.0(2) . 1_545 ? Se9 K1 Se9 81.1(2) . 1_545 ? Bi9 K1 Se7 109.0(6) . 1_545 ? Bi91 K1 Se7 134.2(4) . 1_545 ? Se9 K1 Se7 92.89(8) . 1_545 ? Se9 K1 Se7 152.0(3) 1_545 1_545 ? Bi9 K1 Se7 109.0(6) . 1_535 ? Bi91 K1 Se7 134.2(4) . 1_535 ? Se9 K1 Se7 152.0(3) . 1_535 ? Se9 K1 Se7 92.89(8) 1_545 1_535 ? Se7 K1 Se7 79.62(18) 1_545 1_535 ? Bi9 K1 Se6 135.1(4) . . ? Bi91 K1 Se6 110.1(6) . . ? Se9 K1 Se6 87.22(9) . . ? Se9 K1 Se6 141.1(2) 1_545 . ? Se7 K1 Se6 64.97(12) 1_545 . ? Se7 K1 Se6 113.0(3) 1_535 . ? Bi9 K1 Se6 135.1(4) . 1_545 ? Bi91 K1 Se6 110.1(6) . 1_545 ? Se9 K1 Se6 141.1(2) . 1_545 ? Se9 K1 Se6 87.22(9) 1_545 1_545 ? Se7 K1 Se6 113.0(3) 1_545 1_545 ? Se7 K1 Se6 64.97(12) 1_535 1_545 ? Se6 K1 Se6 78.9(2) . 1_545 ? Bi9 K1 Se3 45.5(7) . 1_545 ? Bi91 K1 Se3 85.5(8) . 1_545 ? Se9 K1 Se3 77.56(19) . 1_545 ? Se9 K1 Se3 77.56(19) 1_545 1_545 ? Se7 K1 Se3 74.47(14) 1_545 1_545 ? Se7 K1 Se3 74.47(14) 1_535 1_545 ? Se6 K1 Se3 135.73(13) . 1_545 ? Se6 K1 Se3 135.73(13) 1_545 1_545 ? Bi9 K1 Se11 88.1(8) . . ? Bi91 K1 Se11 48.1(7) . . ? Se9 K1 Se11 67.76(15) . . ? Se9 K1 Se11 67.76(15) 1_545 . ? Se7 K1 Se11 134.90(14) 1_545 . ? Se7 K1 Se11 134.90(14) 1_535 . ? Se6 K1 Se11 73.44(14) . . ? Se6 K1 Se11 73.44(14) 1_545 . ? Se3 K1 Se11 133.6(3) 1_545 . ? Bi9 K1 Bi5 135.6(8) . . ? Bi91 K1 Bi5 95.6(8) . . ? Se9 K1 Bi5 103.27(16) . . ? Se9 K1 Bi5 103.27(16) 1_545 . ? Se7 K1 Bi5 104.7(2) 1_545 . ? Se7 K1 Bi5 104.7(2) 1_535 . ? Se6 K1 Bi5 43.82(10) . . ? Se6 K1 Bi5 43.82(10) 1_545 . ? Se3 K1 Bi5 178.9(3) 1_545 . ? Se11 K1 Bi5 47.48(10) . . ? Bi9 K1 K1 90.0 . 1_565 ? Bi91 K1 K1 90.000(1) . 1_565 ? Se9 K1 K1 49.43(11) . 1_565 ? Se9 K1 K1 130.57(11) 1_545 1_565 ? Se7 K1 K1 50.19(9) 1_545 1_565 ? Se7 K1 K1 129.81(9) 1_535 1_565 ? Se6 K1 K1 50.54(10) . 1_565 ? Se6 K1 K1 129.46(10) 1_545 1_565 ? Se3 K1 K1 90.0 1_545 1_565 ? Se11 K1 K1 90.0 . 1_565 ? Bi5 K1 K1 90.0 . 1_565 ? Bi9 Bi91 K1 57.2(9) . . ? Bi9 Bi91 Se9 99.0(5) . . ? K1 Bi91 Se9 125.8(3) . . ? Bi9 Bi91 Se9 99.0(5) . 1_545 ? K1 Bi91 Se9 125.8(3) . 1_545 ? Se9 Bi91 Se9 104.0(2) . 1_545 ? Bi9 Bi91 Se11 177.1(9) . . ? K1 Bi91 Se11 120.0(8) . . ? Se9 Bi91 Se11 82.7(3) . . ? Se9 Bi91 Se11 82.7(3) 1_545 . ? Bi9 Bi91 Rb2 126.9(8) . . ? K1 Bi91 Rb2 175.9(9) . . ? Se9 Bi91 Rb2 55.26(15) . . ? Se9 Bi91 Rb2 55.26(15) 1_545 . ? Se11 Bi91 Rb2 55.92(15) . . ? Bi9 Bi91 K1 83.89(19) . 1_565 ? K1 Bi91 K1 78.68(15) . 1_565 ? Se9 Bi91 K1 48.85(14) . 1_565 ? Se9 Bi91 K1 152.6(2) 1_545 1_565 ? Se11 Bi91 K1 95.62(16) . 1_565 ? Rb2 Bi91 K1 101.29(15) . 1_565 ? Bi9 Bi91 K1 83.89(19) . 1_545 ? K1 Bi91 K1 78.68(15) . 1_545 ? Se9 Bi91 K1 152.6(2) . 1_545 ? Se9 Bi91 K1 48.85(14) 1_545 1_545 ? Se11 Bi91 K1 95.62(16) . 1_545 ? Rb2 Bi91 K1 101.29(15) . 1_545 ? K1 Bi91 K1 157.4(3) 1_565 1_545 ? K3 Bi8 Se4 123.5(7) . 3_635 ? K3 Bi8 Se4 123.5(7) . 3_645 ? Se4 Bi8 Se4 96.0(3) 3_635 3_645 ? K3 Bi8 Se13 124.8(15) . 1_564 ? Se4 Bi8 Se13 89.7(2) 3_635 1_564 ? Se4 Bi8 Se13 89.7(2) 3_645 1_564 ? K3 Bi8 K3 81.06(12) . 1_565 ? Se4 Bi8 K3 145.1(3) 3_635 1_565 ? Se4 Bi8 K3 49.58(14) 3_645 1_565 ? Se13 Bi8 K3 95.1(2) 1_564 1_565 ? K3 Bi8 K3 81.06(12) . 1_545 ? Se4 Bi8 K3 49.58(14) 3_635 1_545 ? Se4 Bi8 K3 145.1(3) 3_645 1_545 ? Se13 Bi8 K3 95.1(2) 1_564 1_545 ? K3 Bi8 K3 162.1(2) 1_565 1_545 ? K3 Bi8 Rb2 132.3(15) . 3_645 ? Se4 Bi8 Rb2 49.35(17) 3_635 3_645 ? Se4 Bi8 Rb2 49.35(17) 3_645 3_645 ? Se13 Bi8 Rb2 102.82(12) 1_564 3_645 ? K3 Bi8 Rb2 96.0(2) 1_565 3_645 ? K3 Bi8 Rb2 96.0(2) 1_545 3_645 ? Bi8 K3 Bi81 26.4(7) . . ? Bi8 K3 Se4 46.7(7) . 3_635 ? Bi81 K3 Se4 40.44(12) . 3_635 ? Bi8 K3 Se4 46.7(7) . 3_645 ? Bi81 K3 Se4 40.44(12) . 3_645 ? Se4 K3 Se4 80.9(2) 3_635 3_645 ? Bi8 K3 Se5 113.3(10) . 1_554 ? Bi81 K3 Se5 130.0(9) . 1_554 ? Se4 K3 Se5 93.78(9) 3_635 1_554 ? Se4 K3 Se5 155.0(3) 3_645 1_554 ? Bi8 K3 Se5 113.3(10) . 1_564 ? Bi81 K3 Se5 130.0(9) . 1_564 ? Se4 K3 Se5 155.0(3) 3_635 1_564 ? Se4 K3 Se5 93.78(9) 3_645 1_564 ? Se5 K3 Se5 80.8(2) 1_554 1_564 ? Bi8 K3 Se13 45.9(14) . 1_564 ? Bi81 K3 Se13 72.2(15) . 1_564 ? Se4 K3 Se13 76.1(2) 3_635 1_564 ? Se4 K3 Se13 76.1(2) 3_645 1_564 ? Se5 K3 Se13 78.93(17) 1_554 1_564 ? Se5 K3 Se13 78.93(17) 1_564 1_564 ? Bi8 K3 Se8 134.5(7) . 3_755 ? Bi81 K3 Se8 118.4(11) . 3_755 ? Se4 K3 Se8 140.6(3) 3_635 3_755 ? Se4 K3 Se8 87.82(10) 3_645 3_755 ? Se5 K3 Se8 110.6(3) 1_554 3_755 ? Se5 K3 Se8 62.65(13) 1_564 3_755 ? Se13 K3 Se8 137.22(14) 1_564 3_755 ? Bi8 K3 Se8 134.5(7) . 3_745 ? Bi81 K3 Se8 118.4(11) . 3_745 ? Se4 K3 Se8 87.82(10) 3_635 3_745 ? Se4 K3 Se8 140.6(3) 3_645 3_745 ? Se5 K3 Se8 62.65(13) 1_554 3_745 ? Se5 K3 Se8 110.6(3) 1_564 3_745 ? Se13 K3 Se8 137.22(14) 1_564 3_745 ? Se8 K3 Se8 77.4(2) 3_755 3_745 ? Bi8 K3 Se12 87.8(14) . . ? Bi81 K3 Se12 61.4(15) . . ? Se4 K3 Se12 69.09(16) 3_635 . ? Se4 K3 Se12 69.09(16) 3_645 . ? Se5 K3 Se12 131.77(19) 1_554 . ? Se5 K3 Se12 131.77(19) 1_564 . ? Se13 K3 Se12 133.6(3) 1_564 . ? Se8 K3 Se12 71.65(17) 3_755 . ? Se8 K3 Se12 71.65(17) 3_745 . ? Bi8 K3 K3 90.000(2) . 1_565 ? Bi81 K3 K3 90.000(2) . 1_565 ? Se4 K3 K3 130.44(12) 3_635 1_565 ? Se4 K3 K3 49.56(12) 3_645 1_565 ? Se5 K3 K3 130.39(10) 1_554 1_565 ? Se5 K3 K3 49.61(10) 1_564 1_565 ? Se13 K3 K3 90.0 1_564 1_565 ? Se8 K3 K3 51.28(11) 3_755 1_565 ? Se8 K3 K3 128.72(11) 3_745 1_565 ? Se12 K3 K3 90.0 . 1_565 ? Bi8 K3 K3 90.000(2) . 1_545 ? Bi81 K3 K3 90.000(2) . 1_545 ? Se4 K3 K3 49.56(12) 3_635 1_545 ? Se4 K3 K3 130.44(12) 3_645 1_545 ? Se5 K3 K3 49.61(10) 1_554 1_545 ? Se5 K3 K3 130.39(10) 1_564 1_545 ? Se13 K3 K3 90.0 1_564 1_545 ? Se8 K3 K3 128.72(11) 3_755 1_545 ? Se8 K3 K3 51.28(11) 3_745 1_545 ? Se12 K3 K3 90.0 . 1_545 ? K3 K3 K3 179.999(2) 1_565 1_545 ? K3 Bi81 Se4 129.63(19) . 3_635 ? K3 Bi81 Se4 129.63(19) . 3_645 ? Se4 Bi81 Se4 100.7(3) 3_635 3_645 ? K3 Bi81 Se12 106.9(15) . . ? Se4 Bi81 Se12 79.9(5) 3_635 . ? Se4 Bi81 Se12 79.9(5) 3_645 . ? K3 Bi81 Se13 95.3(17) . 1_564 ? Se4 Bi81 Se13 86.0(3) 3_635 1_564 ? Se4 Bi81 Se13 86.0(3) 3_645 1_564 ? Se12 Bi81 Se13 157.7(3) . 1_564 ? K3 Bi81 K3 80.21(18) . 1_565 ? Se4 Bi81 K3 150.2(3) 3_635 1_565 ? Se4 Bi81 K3 49.43(14) 3_645 1_565 ? Se12 Bi81 K3 92.8(3) . 1_565 ? Se13 Bi81 K3 90.9(3) 1_564 1_565 ? K3 Bi81 K3 80.21(18) . 1_545 ? Se4 Bi81 K3 49.43(14) 3_635 1_545 ? Se4 Bi81 K3 150.2(3) 3_645 1_545 ? Se12 Bi81 K3 92.8(3) . 1_545 ? Se13 Bi81 K3 90.9(3) 1_564 1_545 ? K3 Bi81 K3 160.4(4) 1_565 1_545 ? K3 Bi81 Rb2 161.7(17) . 3_645 ? Se4 Bi81 Rb2 53.0(3) 3_635 3_645 ? Se4 Bi81 Rb2 53.0(3) 3_645 3_645 ? Se12 Bi81 Rb2 54.8(3) . 3_645 ? Se13 Bi81 Rb2 102.96(14) 1_564 3_645 ? K3 Bi81 Rb2 99.3(2) 1_565 3_645 ? K3 Bi81 Rb2 99.3(2) 1_545 3_645 ? _diffrn_measured_fraction_theta_max 0.944 _diffrn_reflns_theta_full 30.33 _diffrn_measured_fraction_theta_full 0.944 _refine_diff_density_max 4.468 _refine_diff_density_min -3.838 _refine_diff_density_rms 0.601