#------------------------------------------------------------------------------ #$Date: 2012-06-13 20:31:17 +0300 (Wed, 13 Jun 2012) $ #$Revision: 59746 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/00/16/4001648.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4001648 loop_ _publ_author_name 'Chung, Duck Young' 'Uher, Ctirad' 'Kanatzidis, Mercouri G.' _publ_section_title ; Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8 ; _journal_issue 10 _journal_name_full 'Chemistry of Materials' _journal_page_first 1854 _journal_volume 24 _journal_year 2012 _chemical_formula_sum 'Bi4 Cs Se1.02 Te4.98' _chemical_formula_weight 1684.76 _chemical_name_systematic ; ? ; _space_group_IT_number 12 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _atom_sites_solution_hydrogens none _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 101.268(2) _cell_angle_gamma 90.00 _cell_formula_units_Z 8 _cell_length_a 51.207(5) _cell_length_b 4.3452(5) _cell_length_c 14.3095(15) _cell_measurement_temperature 293(2) _cell_volume 3122.6(6) _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.972 _diffrn_measured_fraction_theta_max 0.972 _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0701 _diffrn_reflns_av_sigmaI/netI 0.0558 _diffrn_reflns_limit_h_max 70 _diffrn_reflns_limit_h_min -70 _diffrn_reflns_limit_k_max 6 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 15087 _diffrn_reflns_theta_full 29.50 _diffrn_reflns_theta_max 29.50 _diffrn_reflns_theta_min 3.25 _exptl_absorpt_coefficient_mu 58.704 _exptl_absorpt_correction_T_max 0.70 _exptl_absorpt_correction_T_min 0.19 _exptl_absorpt_correction_type empirical _exptl_crystal_colour black _exptl_crystal_density_diffrn 7.168 _exptl_crystal_density_method 'not measured' _exptl_crystal_description needle _exptl_crystal_F_000 5445 _exptl_crystal_size_max 0.210 _exptl_crystal_size_mid 0.025 _exptl_crystal_size_min 0.006 _refine_diff_density_max 4.028 _refine_diff_density_min -4.435 _refine_diff_density_rms 0.642 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.019 _refine_ls_hydrogen_treatment none _refine_ls_matrix_type full _refine_ls_number_parameters 145 _refine_ls_number_reflns 4727 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.019 _refine_ls_R_factor_all 0.0722 _refine_ls_R_factor_gt 0.0514 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0811P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1350 _refine_ls_wR_factor_ref 0.1442 _reflns_number_gt 3457 _reflns_number_total 4727 _reflns_threshold_expression >2sigma(I) _[local]_cod_data_source_file cm300490v_si_001.cif _[local]_cod_data_source_block CsBi4Te496Se102 _[local]_cod_cif_authors_sg_H-M C2/m _cod_original_cell_volume 3122.5(6) _cod_database_code 4001648 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' 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 Bi1 Bi 0.136322(15) 0.0000 0.75252(6) 0.02196(19) Uani 1 2 d S Bi2 Bi 0.212576(15) 0.5000 -0.08912(6) 0.0237(2) Uani 1 2 d S Bi3 Bi 0.163368(14) 0.0000 0.09360(6) 0.0226(2) Uani 1 2 d S Bi4 Bi 0.088851(15) 0.5000 -0.06151(6) 0.0233(2) Uani 1 2 d S Bi5 Bi 0.233982(15) 0.5000 -0.74269(6) 0.02107(19) Uani 1 2 d S Bi6 Bi 0.114893(15) 0.5000 0.27814(6) 0.0217(2) Uani 1 2 d S Bi7 Bi 0.014851(15) 0.0000 0.78898(6) 0.0230(2) Uani 1 2 d S Bi8 Bi 0.040776(15) 0.0000 0.13940(6) 0.0247(2) Uani 1 2 d S Cs1 Cs 0.05511(3) 0.0000 0.50819(12) 0.0389(4) Uani 1 2 d S Cs2 Cs 0.31273(3) 0.0000 -0.51247(12) 0.0377(4) Uani 1 2 d S Te1 Te 0.15390(3) 0.5000 -0.06948(10) 0.0170(5) Uani 0.823(19) 2 d SP Se1 Se 0.15390(3) 0.5000 -0.06948(10) 0.0170(5) Uani 0.177(19) 2 d SP Te2 Te 0.08029(3) 0.0000 0.78622(11) 0.0206(5) Uani 0.796(19) 2 d SP Se2 Se 0.08029(3) 0.0000 0.78622(11) 0.0206(5) Uani 0.204(19) 2 d SP Te3 Te 0.12315(3) 0.5000 0.61071(10) 0.0225(5) Uani 0.888(19) 2 d SP Se3 Se 0.12315(3) 0.5000 0.61071(10) 0.0225(5) Uani 0.112(19) 2 d SP Te4 Te 0.20265(3) 0.0000 0.75572(10) 0.0196(5) Uani 0.917(19) 2 d SP Se4 Se 0.20265(3) 0.0000 0.75572(10) 0.0196(5) Uani 0.083(19) 2 d SP Te5 Te 0.22501(2) 0.0000 0.07606(10) 0.0159(5) Uani 0.83(2) 2 d SP Se5 Se 0.22501(2) 0.0000 0.07606(10) 0.0159(5) Uani 0.17(2) 2 d SP Te6 Te 0.10499(3) 0.0000 0.10042(10) 0.0180(4) Uani 0.855(18) 2 d SP Se6 Se 0.10499(3) 0.0000 0.10042(10) 0.0180(4) Uani 0.145(18) 2 d SP Te7 Te 0.17545(3) 0.5000 -0.75924(12) 0.0208(5) Uani 0.574(19) 2 d SP Se7 Se 0.17545(3) 0.5000 -0.75924(12) 0.0208(5) Uani 0.426(19) 2 d SP Te8 Te 0.12406(3) 0.0000 0.42080(11) 0.0224(5) Uani 0.883(19) 2 d SP Se8 Se 0.12406(3) 0.0000 0.42080(11) 0.0224(5) Uani 0.117(19) 2 d SP Te9 Te 0.23908(3) 0.0000 -0.59963(10) 0.0210(5) Uani 0.906(19) 2 d SP Se9 Se 0.23908(3) 0.0000 -0.59963(10) 0.0210(5) Uani 0.094(19) 2 d SP Te10 Te 0.05855(3) 0.5000 0.28178(11) 0.0211(5) Uani 0.645(19) 2 d SP Se10 Se 0.05855(3) 0.5000 0.28178(11) 0.0211(5) Uani 0.355(19) 2 d SP Te11 Te -0.00729(3) 0.5000 0.35864(11) 0.0251(5) Uani 0.932(18) 2 d SP Se11 Se -0.00729(3) 0.5000 0.35864(11) 0.0251(5) Uani 0.068(18) 2 d SP Te12 Te 0.03258(3) 0.5000 -0.03524(11) 0.0210(5) Uani 0.902(19) 2 d SP Se12 Se 0.03258(3) 0.5000 -0.03524(11) 0.0210(5) Uani 0.098(19) 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 0.0253(4) 0.0183(4) 0.0221(4) 0.000 0.0043(3) 0.000 Bi2 0.0232(4) 0.0203(5) 0.0292(5) 0.000 0.0086(3) 0.000 Bi3 0.0195(4) 0.0212(5) 0.0275(4) 0.000 0.0055(3) 0.000 Bi4 0.0201(4) 0.0207(5) 0.0295(5) 0.000 0.0061(3) 0.000 Bi5 0.0249(4) 0.0168(4) 0.0218(4) 0.000 0.0054(3) 0.000 Bi6 0.0247(4) 0.0190(4) 0.0216(4) 0.000 0.0050(3) 0.000 Bi7 0.0179(3) 0.0207(5) 0.0302(5) 0.000 0.0043(3) 0.000 Bi8 0.0222(4) 0.0223(5) 0.0312(5) 0.000 0.0092(3) 0.000 Cs1 0.0389(8) 0.0354(10) 0.0434(9) 0.000 0.0105(7) 0.000 Cs2 0.0267(7) 0.0403(10) 0.0461(10) 0.000 0.0071(7) 0.000 Te1 0.0157(7) 0.0186(8) 0.0168(8) 0.000 0.0037(5) 0.000 Se1 0.0157(7) 0.0186(8) 0.0168(8) 0.000 0.0037(5) 0.000 Te2 0.0196(7) 0.0211(9) 0.0220(8) 0.000 0.0063(6) 0.000 Se2 0.0196(7) 0.0211(9) 0.0220(8) 0.000 0.0063(6) 0.000 Te3 0.0294(8) 0.0175(9) 0.0212(8) 0.000 0.0065(6) 0.000 Se3 0.0294(8) 0.0175(9) 0.0212(8) 0.000 0.0065(6) 0.000 Te4 0.0220(7) 0.0168(8) 0.0206(8) 0.000 0.0057(5) 0.000 Se4 0.0220(7) 0.0168(8) 0.0206(8) 0.000 0.0057(5) 0.000 Te5 0.0157(7) 0.0158(8) 0.0169(8) 0.000 0.0045(5) 0.000 Se5 0.0157(7) 0.0158(8) 0.0169(8) 0.000 0.0045(5) 0.000 Te6 0.0179(7) 0.0180(8) 0.0182(7) 0.000 0.0041(5) 0.000 Se6 0.0179(7) 0.0180(8) 0.0182(7) 0.000 0.0041(5) 0.000 Te7 0.0175(8) 0.0212(10) 0.0237(9) 0.000 0.0043(6) 0.000 Se7 0.0175(8) 0.0212(10) 0.0237(9) 0.000 0.0043(6) 0.000 Te8 0.0275(8) 0.0177(9) 0.0215(8) 0.000 0.0032(6) 0.000 Se8 0.0275(8) 0.0177(9) 0.0215(8) 0.000 0.0032(6) 0.000 Te9 0.0245(8) 0.0163(8) 0.0218(8) 0.000 0.0033(5) 0.000 Se9 0.0245(8) 0.0163(8) 0.0218(8) 0.000 0.0033(5) 0.000 Te10 0.0192(8) 0.0212(10) 0.0230(9) 0.000 0.0044(6) 0.000 Se10 0.0192(8) 0.0212(10) 0.0230(9) 0.000 0.0044(6) 0.000 Te11 0.0279(8) 0.0229(9) 0.0252(8) 0.000 0.0068(6) 0.000 Se11 0.0279(8) 0.0229(9) 0.0252(8) 0.000 0.0068(6) 0.000 Te12 0.0204(7) 0.0194(9) 0.0239(8) 0.000 0.0057(5) 0.000 Se12 0.0204(7) 0.0194(9) 0.0239(8) 0.000 0.0057(5) 0.000 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Cs Cs -0.3680 2.1192 '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' Te Te -0.5308 1.6751 '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' 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 Se3 Bi1 Te3 0.00(6) 1_545 1_545 Se3 Bi1 Te3 94.47(5) 1_545 . Te3 Bi1 Te3 94.47(5) 1_545 . Se3 Bi1 Te2 90.75(4) 1_545 . Te3 Bi1 Te2 90.75(4) 1_545 . Te3 Bi1 Te2 90.76(4) . . Se3 Bi1 Te1 173.36(3) 1_545 1_556 Te3 Bi1 Te1 173.36(3) 1_545 1_556 Te3 Bi1 Te1 92.11(3) . 1_556 Te2 Bi1 Te1 90.06(4) . 1_556 Se3 Bi1 Te1 92.11(3) 1_545 1_546 Te3 Bi1 Te1 92.11(3) 1_545 1_546 Te3 Bi1 Te1 173.36(3) . 1_546 Te2 Bi1 Te1 90.06(4) . 1_546 Te1 Bi1 Te1 81.30(4) 1_556 1_546 Se3 Bi1 Te4 95.91(4) 1_545 . Te3 Bi1 Te4 95.91(4) 1_545 . Te3 Bi1 Te4 95.90(4) . . Te2 Bi1 Te4 170.17(5) . . Te1 Bi1 Te4 82.50(3) 1_556 . Te1 Bi1 Te4 82.50(3) 1_546 . Te1 Bi2 Se4 92.27(3) . 1_554 Te1 Bi2 Te4 92.27(3) . 1_554 Se4 Bi2 Te4 0.00(4) 1_554 1_554 Te1 Bi2 Se4 92.27(3) . 1_564 Se4 Bi2 Se4 89.84(4) 1_554 1_564 Te4 Bi2 Se4 89.84(4) 1_554 1_564 Te1 Bi2 Te4 92.27(3) . 1_564 Se4 Bi2 Te4 89.84(4) 1_554 1_564 Te4 Bi2 Te4 89.84(4) 1_554 1_564 Se4 Bi2 Te4 0.00(5) 1_564 1_564 Te1 Bi2 Se5 171.53(5) . 7 Se4 Bi2 Se5 93.73(3) 1_554 7 Te4 Bi2 Se5 93.73(3) 1_554 7 Se4 Bi2 Se5 93.73(3) 1_564 7 Te4 Bi2 Se5 93.73(3) 1_564 7 Te1 Bi2 Te5 171.53(5) . 7 Se4 Bi2 Te5 93.73(3) 1_554 7 Te4 Bi2 Te5 93.73(3) 1_554 7 Se4 Bi2 Te5 93.73(3) 1_564 7 Te4 Bi2 Te5 93.73(3) 1_564 7 Se5 Bi2 Te5 0.00(5) 7 7 Te1 Bi2 Se5 89.38(3) . 1_565 Se4 Bi2 Se5 177.49(4) 1_554 1_565 Te4 Bi2 Se5 177.49(4) 1_554 1_565 Se4 Bi2 Se5 91.99(3) 1_564 1_565 Te4 Bi2 Se5 91.99(3) 1_564 1_565 Se5 Bi2 Se5 84.44(3) 7 1_565 Te5 Bi2 Se5 84.44(3) 7 1_565 Te1 Bi2 Te5 89.38(3) . 1_565 Se4 Bi2 Te5 177.49(4) 1_554 1_565 Te4 Bi2 Te5 177.49(4) 1_554 1_565 Se4 Bi2 Te5 91.99(3) 1_564 1_565 Te4 Bi2 Te5 91.99(3) 1_564 1_565 Se5 Bi2 Te5 84.44(3) 7 1_565 Te5 Bi2 Te5 84.44(3) 7 1_565 Se5 Bi2 Te5 0.00(4) 1_565 1_565 Te1 Bi2 Te5 89.39(3) . . Se4 Bi2 Te5 91.99(3) 1_554 . Te4 Bi2 Te5 91.99(3) 1_554 . Se4 Bi2 Te5 177.48(4) 1_564 . Te4 Bi2 Te5 177.48(4) 1_564 . Se5 Bi2 Te5 84.43(3) 7 . Te5 Bi2 Te5 84.43(3) 7 . Se5 Bi2 Te5 86.13(4) 1_565 . Te5 Bi2 Te5 86.13(4) 1_565 . Se7 Bi3 Te7 0.00(5) 1_556 1_556 Se7 Bi3 Se7 92.62(5) 1_556 1_546 Te7 Bi3 Se7 92.62(5) 1_556 1_546 Se7 Bi3 Te7 92.62(5) 1_556 1_546 Te7 Bi3 Te7 92.62(5) 1_556 1_546 Se7 Bi3 Te7 0.00(6) 1_546 1_546 Se7 Bi3 Te6 92.70(4) 1_556 . Te7 Bi3 Te6 92.70(4) 1_556 . Se7 Bi3 Te6 92.70(4) 1_546 . Te7 Bi3 Te6 92.70(4) 1_546 . Se7 Bi3 Te1 90.07(3) 1_556 . Te7 Bi3 Te1 90.07(3) 1_556 . Se7 Bi3 Te1 175.48(4) 1_546 . Te7 Bi3 Te1 175.48(4) 1_546 . Te6 Bi3 Te1 90.79(3) . . Se7 Bi3 Te1 175.49(4) 1_556 1_545 Te7 Bi3 Te1 175.49(4) 1_556 1_545 Se7 Bi3 Te1 90.07(3) 1_546 1_545 Te7 Bi3 Te1 90.07(3) 1_546 1_545 Te6 Bi3 Te1 90.79(3) . 1_545 Te1 Bi3 Te1 87.02(4) . 1_545 Se7 Bi3 Se1 175.49(4) 1_556 1_545 Te7 Bi3 Se1 175.49(4) 1_556 1_545 Se7 Bi3 Se1 90.07(3) 1_546 1_545 Te7 Bi3 Se1 90.07(3) 1_546 1_545 Te6 Bi3 Se1 90.79(3) . 1_545 Te1 Bi3 Se1 87.02(4) . 1_545 Te1 Bi3 Se1 0.00(4) 1_545 1_545 Se7 Bi3 Te5 89.08(4) 1_556 . Te7 Bi3 Te5 89.08(4) 1_556 . Se7 Bi3 Te5 89.08(4) 1_546 . Te7 Bi3 Te5 89.08(4) 1_546 . Te6 Bi3 Te5 177.43(5) . . Te1 Bi3 Te5 87.34(3) . . Te1 Bi3 Te5 87.35(3) 1_545 . Se1 Bi3 Te5 87.35(3) 1_545 . Te12 Bi4 Se2 94.75(4) . 1_554 Te12 Bi4 Te2 94.75(4) . 1_554 Se2 Bi4 Te2 0.00(4) 1_554 1_554 Te12 Bi4 Se2 94.75(4) . 1_564 Se2 Bi4 Se2 90.94(5) 1_554 1_564 Te2 Bi4 Se2 90.94(5) 1_554 1_564 Te12 Bi4 Te2 94.75(4) . 1_564 Se2 Bi4 Te2 90.94(5) 1_554 1_564 Te2 Bi4 Te2 90.94(5) 1_554 1_564 Se2 Bi4 Te2 0.00(5) 1_564 1_564 Te12 Bi4 Se6 91.61(4) . 1_565 Se2 Bi4 Se6 173.23(4) 1_554 1_565 Te2 Bi4 Se6 173.23(4) 1_554 1_565 Se2 Bi4 Se6 90.84(3) 1_564 1_565 Te2 Bi4 Se6 90.84(3) 1_564 1_565 Te12 Bi4 Te6 91.61(4) . 1_565 Se2 Bi4 Te6 173.23(4) 1_554 1_565 Te2 Bi4 Te6 173.23(4) 1_554 1_565 Se2 Bi4 Te6 90.84(3) 1_564 1_565 Te2 Bi4 Te6 90.84(3) 1_564 1_565 Se6 Bi4 Te6 0.00(6) 1_565 1_565 Te12 Bi4 Te6 91.62(4) . . Se2 Bi4 Te6 90.84(3) 1_554 . Te2 Bi4 Te6 90.84(3) 1_554 . Se2 Bi4 Te6 173.23(4) 1_564 . Te2 Bi4 Te6 173.23(4) 1_564 . Se6 Bi4 Te6 86.67(4) 1_565 . Te6 Bi4 Te6 86.67(4) 1_565 . Te12 Bi4 Te1 174.80(5) . . Se2 Bi4 Te1 88.90(4) 1_554 . Te2 Bi4 Te1 88.90(4) 1_554 . Se2 Bi4 Te1 88.90(4) 1_564 . Te2 Bi4 Te1 88.90(4) 1_564 . Se6 Bi4 Te1 84.61(3) 1_565 . Te6 Bi4 Te1 84.61(3) 1_565 . Te6 Bi4 Te1 84.61(3) . . Te7 Bi5 Se9 90.37(4) . 1_565 Te7 Bi5 Te9 90.37(4) . 1_565 Se9 Bi5 Te9 0.0 1_565 1_565 Te7 Bi5 Te9 90.37(4) . . Se9 Bi5 Te9 94.38(5) 1_565 . Te9 Bi5 Te9 94.38(5) 1_565 . Te7 Bi5 Te4 172.31(5) . 7 Se9 Bi5 Te4 94.85(4) 1_565 7 Te9 Bi5 Te4 94.85(4) 1_565 7 Te9 Bi5 Te4 94.85(4) . 7 Te7 Bi5 Te5 87.38(4) . 1_554 Se9 Bi5 Te5 172.99(3) 1_565 1_554 Te9 Bi5 Te5 172.99(3) 1_565 1_554 Te9 Bi5 Te5 92.27(3) . 1_554 Te4 Bi5 Te5 86.77(3) 7 1_554 Te7 Bi5 Te5 87.38(4) . 1_564 Se9 Bi5 Te5 92.27(3) 1_565 1_564 Te9 Bi5 Te5 92.27(3) 1_565 1_564 Te9 Bi5 Te5 172.99(3) . 1_564 Te4 Bi5 Te5 86.77(3) 7 1_564 Te5 Bi5 Te5 80.99(4) 1_554 1_564 Te7 Bi5 Cs2 53.57(4) . 7_554 Se9 Bi5 Cs2 57.12(3) 1_565 7_554 Te9 Bi5 Cs2 57.12(3) 1_565 7_554 Te9 Bi5 Cs2 57.12(3) . 7_554 Te4 Bi5 Cs2 134.12(4) 7 7_554 Te5 Bi5 Cs2 125.71(3) 1_554 7_554 Te5 Bi5 Cs2 125.71(3) 1_564 7_554 Te10 Bi6 Se8 90.68(4) . 1_565 Te10 Bi6 Te8 90.68(4) . 1_565 Se8 Bi6 Te8 0.00(4) 1_565 1_565 Te10 Bi6 Te8 90.68(4) . . Se8 Bi6 Te8 94.65(5) 1_565 . Te8 Bi6 Te8 94.65(5) 1_565 . Te10 Bi6 Se7 171.71(5) . 1_556 Se8 Bi6 Se7 94.93(4) 1_565 1_556 Te8 Bi6 Se7 94.93(4) 1_565 1_556 Te8 Bi6 Se7 94.93(4) . 1_556 Te10 Bi6 Te7 171.71(5) . 1_556 Se8 Bi6 Te7 94.93(4) 1_565 1_556 Te8 Bi6 Te7 94.93(4) 1_565 1_556 Te8 Bi6 Te7 94.93(4) . 1_556 Se7 Bi6 Te7 0.00(6) 1_556 1_556 Te10 Bi6 Te6 90.58(4) . . Se8 Bi6 Te6 173.61(3) 1_565 . Te8 Bi6 Te6 173.61(3) 1_565 . Te8 Bi6 Te6 91.61(3) . . Se7 Bi6 Te6 83.18(4) 1_556 . Te7 Bi6 Te6 83.18(4) 1_556 . Te10 Bi6 Te6 90.58(4) . 1_565 Se8 Bi6 Te6 91.60(3) 1_565 1_565 Te8 Bi6 Te6 91.60(3) 1_565 1_565 Te8 Bi6 Te6 173.61(3) . 1_565 Se7 Bi6 Te6 83.18(4) 1_556 1_565 Te7 Bi6 Te6 83.18(4) 1_556 1_565 Te6 Bi6 Te6 82.12(4) . 1_565 Te10 Bi6 Cs2 131.84(5) . 7 Se8 Bi6 Cs2 59.15(3) 1_565 7 Te8 Bi6 Cs2 59.15(3) 1_565 7 Te8 Bi6 Cs2 59.15(3) . 7 Se7 Bi6 Cs2 56.44(4) 1_556 7 Te7 Bi6 Cs2 56.44(4) 1_556 7 Te6 Bi6 Cs2 123.70(3) . 7 Te6 Bi6 Cs2 123.71(3) 1_565 7 Se11 Bi7 Te11 0.0 5_556 5_556 Se11 Bi7 Se11 92.72(5) 5_556 5_566 Te11 Bi7 Se11 92.72(5) 5_556 5_566 Se11 Bi7 Te11 92.72(5) 5_556 5_566 Te11 Bi7 Te11 92.72(5) 5_556 5_566 Se11 Bi7 Te11 0.00(4) 5_566 5_566 Se11 Bi7 Bi8 102.95(3) 5_556 5_556 Te11 Bi7 Bi8 102.95(3) 5_556 5_556 Se11 Bi7 Bi8 102.95(3) 5_566 5_556 Te11 Bi7 Bi8 102.95(3) 5_566 5_556 Se11 Bi7 Te12 170.82(4) 5_556 1_556 Te11 Bi7 Te12 170.82(4) 5_556 1_556 Se11 Bi7 Te12 92.19(3) 5_566 1_556 Te11 Bi7 Te12 92.19(3) 5_566 1_556 Bi8 Bi7 Te12 83.47(3) 5_556 1_556 Se11 Bi7 Te12 92.19(3) 5_556 1_546 Te11 Bi7 Te12 92.19(3) 5_556 1_546 Se11 Bi7 Te12 170.82(4) 5_566 1_546 Te11 Bi7 Te12 170.82(4) 5_566 1_546 Bi8 Bi7 Te12 83.47(3) 5_556 1_546 Te12 Bi7 Te12 81.94(4) 1_556 1_546 Se11 Bi7 Te2 89.06(4) 5_556 . Te11 Bi7 Te2 89.06(4) 5_556 . Se11 Bi7 Te2 89.06(4) 5_566 . Te11 Bi7 Te2 89.06(4) 5_566 . Bi8 Bi7 Te2 162.42(4) 5_556 . Te12 Bi7 Te2 83.27(3) 1_556 . Te12 Bi7 Te2 83.27(3) 1_546 . Te10 Bi8 Se10 92.97(5) . 1_545 Te10 Bi8 Te10 92.97(5) . 1_545 Se10 Bi8 Te10 0.00(6) 1_545 1_545 Te10 Bi8 Bi7 87.33(4) . 5_556 Se10 Bi8 Bi7 87.33(4) 1_545 5_556 Te10 Bi8 Bi7 87.33(4) 1_545 5_556 Te10 Bi8 Te12 90.83(3) . . Se10 Bi8 Te12 167.52(5) 1_545 . Te10 Bi8 Te12 167.52(5) 1_545 . Bi7 Bi8 Te12 104.72(3) 5_556 . Te10 Bi8 Te12 167.52(5) . 1_545 Se10 Bi8 Te12 90.83(3) 1_545 1_545 Te10 Bi8 Te12 90.83(3) 1_545 1_545 Bi7 Bi8 Te12 104.73(3) 5_556 1_545 Te12 Bi8 Te12 83.09(4) . 1_545 Te10 Bi8 Te6 86.41(4) . . Se10 Bi8 Te6 86.41(4) 1_545 . Te10 Bi8 Te6 86.41(4) 1_545 . Bi7 Bi8 Te6 170.90(4) 5_556 . Te12 Bi8 Te6 81.97(3) . . Te12 Bi8 Te6 81.97(3) 1_545 . Se10 Cs1 Te10 0.00(4) 1_545 1_545 Se10 Cs1 Te10 67.06(4) 1_545 . Te10 Cs1 Te10 67.06(4) 1_545 . Se10 Cs1 Te2 140.73(3) 1_545 . Te10 Cs1 Te2 140.73(3) 1_545 . Te10 Cs1 Te2 140.73(3) . . Se10 Cs1 Te8 63.56(4) 1_545 . Te10 Cs1 Te8 63.56(4) 1_545 . Te10 Cs1 Te8 63.56(4) . . Te2 Cs1 Te8 100.52(4) . . Se10 Cs1 Se11 102.78(3) 1_545 5_556 Te10 Cs1 Se11 102.78(3) 1_545 5_556 Te10 Cs1 Se11 144.90(5) . 5_556 Te2 Cs1 Se11 68.32(4) . 5_556 Te8 Cs1 Se11 144.17(2) . 5_556 Se10 Cs1 Te11 102.78(3) 1_545 5_556 Te10 Cs1 Te11 102.78(3) 1_545 5_556 Te10 Cs1 Te11 144.90(5) . 5_556 Te2 Cs1 Te11 68.32(4) . 5_556 Te8 Cs1 Te11 144.17(2) . 5_556 Se11 Cs1 Te11 0.00(3) 5_556 5_556 Se10 Cs1 Se11 144.90(5) 1_545 5_566 Te10 Cs1 Se11 144.90(5) 1_545 5_566 Te10 Cs1 Se11 102.78(3) . 5_566 Te2 Cs1 Se11 68.32(4) . 5_566 Te8 Cs1 Se11 144.17(2) . 5_566 Se11 Cs1 Se11 65.40(4) 5_556 5_566 Te11 Cs1 Se11 65.40(4) 5_556 5_566 Se10 Cs1 Te11 144.90(5) 1_545 5_566 Te10 Cs1 Te11 144.90(5) 1_545 5_566 Te10 Cs1 Te11 102.78(3) . 5_566 Te2 Cs1 Te11 68.32(4) . 5_566 Te8 Cs1 Te11 144.17(2) . 5_566 Se11 Cs1 Te11 65.40(4) 5_556 5_566 Te11 Cs1 Te11 65.40(4) 5_556 5_566 Se11 Cs1 Te11 0.00(3) 5_566 5_566 Te9 Cs2 Se3 139.70(6) . 7 Te9 Cs2 Te3 139.70(6) . 7 Se3 Cs2 Te3 0.000(16) 7 7 Te9 Cs2 Se7 106.80(5) . 7_554 Se3 Cs2 Se7 113.50(5) 7 7_554 Te3 Cs2 Se7 113.50(5) 7 7_554 Te9 Cs2 Te7 106.80(5) . 7_554 Se3 Cs2 Te7 113.50(5) 7 7_554 Te3 Cs2 Te7 113.50(5) 7 7_554 Se7 Cs2 Te7 0.0 7_554 7_554 Te9 Cs2 Se8 145.978(17) . 7 Se3 Cs2 Se8 53.66(3) 7 7 Te3 Cs2 Se8 53.66(3) 7 7 Se7 Cs2 Se8 72.65(4) 7_554 7 Te7 Cs2 Se8 72.65(4) 7_554 7 Te9 Cs2 Te8 145.978(17) . 7 Se3 Cs2 Te8 53.66(3) 7 7 Te3 Cs2 Te8 53.66(3) 7 7 Se7 Cs2 Te8 72.65(4) 7_554 7 Te7 Cs2 Te8 72.65(4) 7_554 7 Se8 Cs2 Te8 0.00(3) 7 7 Te9 Cs2 Se8 145.978(17) . 7_545 Se3 Cs2 Se8 53.66(3) 7 7_545 Te3 Cs2 Se8 53.66(3) 7 7_545 Se7 Cs2 Se8 72.65(4) 7_554 7_545 Te7 Cs2 Se8 72.65(4) 7_554 7_545 Se8 Cs2 Se8 67.58(3) 7 7_545 Te8 Cs2 Se8 67.58(3) 7 7_545 Te9 Cs2 Te8 145.978(17) . 7_545 Se3 Cs2 Te8 53.66(3) 7 7_545 Te3 Cs2 Te8 53.66(3) 7 7_545 Se7 Cs2 Te8 72.65(4) 7_554 7_545 Te7 Cs2 Te8 72.65(4) 7_554 7_545 Se8 Cs2 Te8 67.58(3) 7 7_545 Te8 Cs2 Te8 67.58(3) 7 7_545 Se8 Cs2 Te8 0.00(3) 7_545 7_545 Te9 Cs2 Se9 55.11(4) . 7_544 Se3 Cs2 Se9 146.485(18) 7 7_544 Te3 Cs2 Se9 146.485(18) 7 7_544 Se7 Cs2 Se9 64.97(4) 7_554 7_544 Te7 Cs2 Se9 64.97(4) 7_554 7_544 Se8 Cs2 Se9 137.61(6) 7 7_544 Te8 Cs2 Se9 137.61(6) 7 7_544 Se8 Cs2 Se9 97.72(3) 7_545 7_544 Te8 Cs2 Se9 97.72(3) 7_545 7_544 Te9 Cs2 Te9 55.11(4) . 7_544 Se3 Cs2 Te9 146.485(18) 7 7_544 Te3 Cs2 Te9 146.485(18) 7 7_544 Se7 Cs2 Te9 64.97(4) 7_554 7_544 Te7 Cs2 Te9 64.97(4) 7_554 7_544 Se8 Cs2 Te9 137.61(6) 7 7_544 Te8 Cs2 Te9 137.61(6) 7 7_544 Se8 Cs2 Te9 97.72(3) 7_545 7_544 Te8 Cs2 Te9 97.72(3) 7_545 7_544 Se9 Cs2 Te9 0.00(4) 7_544 7_544 Bi2 Te1 Bi3 93.20(3) . 1_565 Bi2 Te1 Bi3 93.21(3) . . Bi3 Te1 Bi3 87.02(4) 1_565 . Bi2 Te1 Bi1 93.03(4) . 1_554 Bi3 Te1 Bi1 173.14(5) 1_565 1_554 Bi3 Te1 Bi1 95.499(17) . 1_554 Bi2 Te1 Bi1 93.03(4) . 1_564 Bi3 Te1 Bi1 95.499(17) 1_565 1_564 Bi3 Te1 Bi1 173.13(5) . 1_564 Bi1 Te1 Bi1 81.30(4) 1_554 1_564 Bi2 Te1 Bi4 176.76(5) . . Bi3 Te1 Bi4 89.14(3) 1_565 . Bi3 Te1 Bi4 89.14(3) . . Bi1 Te1 Bi4 84.52(3) 1_554 . Bi1 Te1 Bi4 84.52(3) 1_564 . Bi1 Te2 Bi4 96.11(4) . 1_556 Bi1 Te2 Bi4 96.11(4) . 1_546 Bi4 Te2 Bi4 90.95(5) 1_556 1_546 Bi1 Te2 Bi7 171.60(6) . . Bi4 Te2 Bi7 89.77(4) 1_556 . Bi4 Te2 Bi7 89.77(4) 1_546 . Bi1 Te2 Cs1 88.41(5) . . Bi4 Te2 Cs1 134.09(2) 1_556 . Bi4 Te2 Cs1 134.09(2) 1_546 . Bi7 Te2 Cs1 83.18(4) . . Bi1 Te3 Bi1 94.47(5) 1_565 . Bi1 Te3 Cs2 98.93(4) 1_565 7 Bi1 Te3 Cs2 98.94(4) . 7 Bi1 Te3 Cs1 85.45(3) 1_565 1_565 Bi1 Te3 Cs1 133.96(5) . 1_565 Cs2 Te3 Cs1 126.64(4) 7 1_565 Bi1 Te3 Cs1 133.96(5) 1_565 . Bi1 Te3 Cs1 85.45(3) . . Cs2 Te3 Cs1 126.64(4) 7 . Cs1 Te3 Cs1 63.57(3) 1_565 . Bi2 Te4 Bi2 89.84(4) 1_556 1_546 Bi2 Te4 Bi5 90.87(3) 1_556 7 Bi2 Te4 Bi5 90.87(3) 1_546 7 Bi2 Te4 Bi1 91.92(3) 1_556 . Bi2 Te4 Bi1 91.92(3) 1_546 . Bi5 Te4 Bi1 176.05(5) 7 . Bi2 Te4 Cs2 167.54(3) 1_556 7_545 Bi2 Te4 Cs2 102.62(2) 1_546 7_545 Bi5 Te4 Cs2 88.83(4) 7 7_545 Bi1 Te4 Cs2 87.84(4) . 7_545 Bi2 Te4 Cs2 102.62(2) 1_556 7 Bi2 Te4 Cs2 167.54(3) 1_546 7 Bi5 Te4 Cs2 88.83(4) 7 7 Bi1 Te4 Cs2 87.84(4) . 7 Cs2 Te4 Cs2 64.92(4) 7_545 7 Bi2 Te5 Bi2 95.56(3) 7 1_545 Bi2 Te5 Bi2 95.57(3) 7 . Bi2 Te5 Bi2 86.13(4) 1_545 . Bi2 Te5 Bi3 172.29(5) 7 . Bi2 Te5 Bi3 90.06(3) 1_545 . Bi2 Te5 Bi3 90.06(3) . . Bi2 Te5 Bi5 88.29(3) 7 1_556 Bi2 Te5 Bi5 175.24(4) 1_545 1_556 Bi2 Te5 Bi5 96.299(17) . 1_556 Bi3 Te5 Bi5 85.85(3) . 1_556 Bi2 Te5 Bi5 88.29(3) 7 1_546 Bi2 Te5 Bi5 96.299(16) 1_545 1_546 Bi2 Te5 Bi5 175.24(4) . 1_546 Bi3 Te5 Bi5 85.85(3) . 1_546 Bi5 Te5 Bi5 80.99(4) 1_556 1_546 Bi3 Te6 Bi4 95.46(4) . . Bi3 Te6 Bi4 95.46(4) . 1_545 Bi4 Te6 Bi4 86.66(4) . 1_545 Bi3 Te6 Bi6 91.19(3) . 1_545 Bi4 Te6 Bi6 172.89(5) . 1_545 Bi4 Te6 Bi6 95.212(17) 1_545 1_545 Bi3 Te6 Bi6 91.19(3) . . Bi4 Te6 Bi6 95.212(17) . . Bi4 Te6 Bi6 172.89(5) 1_545 . Bi6 Te6 Bi6 82.12(4) 1_545 . Bi3 Te6 Bi8 172.67(5) . . Bi4 Te6 Bi8 89.87(3) . . Bi4 Te6 Bi8 89.87(3) 1_545 . Bi6 Te6 Bi8 83.29(3) 1_545 . Bi6 Te6 Bi8 83.29(3) . . Bi5 Te7 Bi3 97.05(4) . 1_554 Bi5 Te7 Bi3 97.05(4) . 1_564 Bi3 Te7 Bi3 92.62(5) 1_554 1_564 Bi5 Te7 Bi6 166.20(7) . 1_554 Bi3 Te7 Bi6 92.46(4) 1_554 1_554 Bi3 Te7 Bi6 92.46(4) 1_564 1_554 Bi5 Te7 Cs2 87.82(5) . 7_554 Bi3 Te7 Cs2 133.15(3) 1_554 7_554 Bi3 Te7 Cs2 133.15(3) 1_564 7_554 Bi6 Te7 Cs2 78.38(4) 1_554 7_554 Bi6 Te8 Bi6 94.64(5) . 1_545 Bi6 Te8 Cs2 80.35(3) . 7 Bi6 Te8 Cs2 130.56(5) 1_545 7 Bi6 Te8 Cs2 130.56(5) . 7_545 Bi6 Te8 Cs2 80.35(3) 1_545 7_545 Cs2 Te8 Cs2 67.59(3) 7 7_545 Bi6 Te8 Cs1 100.75(4) . . Bi6 Te8 Cs1 100.75(4) 1_545 . Cs2 Te8 Cs1 128.60(4) 7 . Cs2 Te8 Cs1 128.60(4) 7_545 . Bi5 Te9 Bi5 94.38(5) 1_545 . Bi5 Te9 Cs2 100.24(4) 1_545 . Bi5 Te9 Cs2 100.24(4) . . Bi5 Te9 Cs2 84.43(3) 1_545 7_544 Bi5 Te9 Cs2 134.43(5) . 7_544 Cs2 Te9 Cs2 124.88(4) . 7_544 Bi5 Te9 Cs2 134.43(5) 1_545 7_554 Bi5 Te9 Cs2 84.43(3) . 7_554 Cs2 Te9 Cs2 124.88(4) . 7_554 Cs2 Te9 Cs2 65.81(3) 7_544 7_554 Bi6 Te10 Bi8 99.15(4) . 1_565 Bi6 Te10 Bi8 99.15(4) . . Bi8 Te10 Bi8 92.98(5) 1_565 . Bi6 Te10 Cs1 102.70(4) . 1_565 Bi8 Te10 Cs1 95.92(3) 1_565 1_565 Bi8 Te10 Cs1 154.73(5) . 1_565 Bi6 Te10 Cs1 102.70(4) . . Bi8 Te10 Cs1 154.73(5) 1_565 . Bi8 Te10 Cs1 95.92(3) . . Cs1 Te10 Cs1 67.06(4) 1_565 . Bi7 Te11 Bi7 92.72(5) 5_556 5_566 Bi7 Te11 Cs1 86.32(3) 5_556 5_556 Bi7 Te11 Cs1 135.86(5) 5_566 5_556 Bi7 Te11 Cs1 135.86(5) 5_556 5_566 Bi7 Te11 Cs1 86.32(3) 5_566 5_566 Cs1 Te11 Cs1 65.40(4) 5_556 5_566 Bi7 Te11 Cs1 87.94(3) 5_556 . Bi7 Te11 Cs1 136.91(5) 5_566 . Cs1 Te11 Cs1 87.19(4) 5_556 . Cs1 Te11 Cs1 121.54(4) 5_566 . Bi7 Te11 Cs1 136.91(5) 5_556 1_565 Bi7 Te11 Cs1 87.94(3) 5_566 1_565 Cs1 Te11 Cs1 121.54(4) 5_556 1_565 Cs1 Te11 Cs1 87.20(4) 5_566 1_565 Cs1 Te11 Cs1 63.94(3) . 1_565 Bi4 Te12 Bi8 96.51(4) . 1_565 Bi4 Te12 Bi8 96.51(4) . . Bi8 Te12 Bi8 83.09(4) 1_565 . Bi4 Te12 Bi7 91.86(4) . 1_554 Bi8 Te12 Bi7 171.58(5) 1_565 1_554 Bi8 Te12 Bi7 96.862(17) . 1_554 Bi4 Te12 Bi7 91.86(4) . 1_564 Bi8 Te12 Bi7 96.863(17) 1_565 1_564 Bi8 Te12 Bi7 171.58(5) . 1_564 Bi7 Te12 Bi7 81.95(4) 1_554 1_564 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Bi1 Se3 2.9594(11) 1_545 Bi1 Te3 2.9594(11) 1_545 Bi1 Te3 2.9594(11) . Bi1 Te2 3.0007(16) . Bi1 Te1 3.3350(12) 1_556 Bi1 Te1 3.3350(12) 1_546 Bi1 Te4 3.3880(16) . Bi2 Te1 3.0721(15) . Bi2 Se4 3.0769(11) 1_554 Bi2 Te4 3.0769(11) 1_554 Bi2 Se4 3.0769(11) 1_564 Bi2 Te4 3.0769(11) 1_564 Bi2 Se5 3.1652(15) 7 Bi2 Te5 3.1652(15) 7 Bi2 Se5 3.1818(12) 1_565 Bi2 Te5 3.1818(12) 1_565 Bi2 Te5 3.1818(12) . Bi3 Se7 3.0046(12) 1_556 Bi3 Te7 3.0046(12) 1_556 Bi3 Se7 3.0046(12) 1_546 Bi3 Te7 3.0046(12) 1_546 Bi3 Te6 3.0102(15) . Bi3 Te1 3.1557(12) . Bi3 Te1 3.1557(12) 1_545 Bi3 Se1 3.1557(12) 1_545 Bi3 Te5 3.2148(14) . Bi4 Te12 2.9778(16) . Bi4 Se2 3.0475(12) 1_554 Bi4 Te2 3.0475(12) 1_554 Bi4 Se2 3.0475(12) 1_564 Bi4 Te2 3.0475(12) 1_564 Bi4 Se6 3.1660(12) 1_565 Bi4 Te6 3.1660(12) 1_565 Bi4 Te6 3.1660(12) . Bi4 Te1 3.3549(15) . Bi5 Te7 2.9599(17) . Bi5 Se9 2.9614(12) 1_565 Bi5 Te9 2.9614(12) 1_565 Bi5 Te9 2.9614(12) . Bi5 Te4 3.2861(15) 7 Bi5 Te5 3.3456(12) 1_554 Bi5 Te5 3.3456(12) 1_564 Bi5 Cs2 4.7398(19) 7_554 Bi6 Te10 2.8960(17) . Bi6 Se8 2.9552(11) 1_565 Bi6 Te8 2.9552(11) 1_565 Bi6 Te8 2.9552(11) . Bi6 Se7 3.2482(17) 1_556 Bi6 Te7 3.2482(17) 1_556 Bi6 Te6 3.3077(12) . Bi6 Te6 3.3077(12) 1_565 Bi6 Cs2 4.4859(18) 7 Bi7 Se11 3.0021(12) 5_556 Bi7 Te11 3.0021(12) 5_556 Bi7 Se11 3.0021(12) 5_566 Bi7 Te11 3.0021(12) 5_566 Bi7 Bi8 3.2103(12) 5_556 Bi7 Te12 3.3135(13) 1_556 Bi7 Te12 3.3135(13) 1_546 Bi7 Te2 3.3591(16) . Bi8 Te10 2.9958(12) . Bi8 Se10 2.9958(12) 1_545 Bi8 Te10 2.9958(12) 1_545 Bi8 Bi7 3.2101(12) 5_556 Bi8 Te12 3.2759(13) . Bi8 Te12 3.2759(13) 1_545 Bi8 Te6 3.4408(16) . Cs1 Se10 3.933(2) 1_545 Cs1 Te10 3.933(2) 1_545 Cs1 Te10 3.933(2) . Cs1 Te2 3.935(2) . Cs1 Te8 3.969(2) . Cs1 Se11 4.0215(19) 5_556 Cs1 Te11 4.0215(19) 5_556 Cs1 Se11 4.0215(19) 5_566 Cs1 Te11 4.0215(19) 5_566 Cs2 Te9 3.734(2) . Cs2 Se3 3.816(2) 7 Cs2 Te3 3.816(2) 7 Cs2 Se7 3.816(2) 7_554 Cs2 Te7 3.816(2) 7_554 Cs2 Se8 3.9064(17) 7 Cs2 Te8 3.9064(17) 7 Cs2 Se8 3.9064(17) 7_545 Cs2 Te8 3.9064(17) 7_545 Cs2 Se9 3.9994(18) 7_544 Cs2 Te9 3.9994(18) 7_544 Te1 Bi3 3.1557(12) 1_565 Te1 Bi1 3.3350(12) 1_554 Te1 Bi1 3.3350(12) 1_564 Te2 Bi4 3.0475(12) 1_556 Te2 Bi4 3.0475(12) 1_546 Te3 Bi1 2.9593(11) 1_565 Te3 Cs2 3.816(2) 7 Te3 Cs1 4.1247(18) 1_565 Te4 Bi2 3.0769(11) 1_556 Te4 Bi2 3.0769(11) 1_546 Te4 Bi5 3.2864(15) 7 Te4 Cs2 4.048(2) 7_545 Te4 Cs2 4.048(2) 7 Te5 Bi2 3.1649(15) 7 Te5 Bi2 3.1818(12) 1_545 Te5 Bi5 3.3456(12) 1_556 Te5 Bi5 3.3456(12) 1_546 Te6 Bi4 3.1660(12) 1_545 Te6 Bi6 3.3077(12) 1_545 Te7 Bi3 3.0047(12) 1_554 Te7 Bi3 3.0047(12) 1_564 Te7 Bi6 3.2483(17) 1_554 Te7 Cs2 3.816(2) 7_554 Te8 Bi6 2.9552(11) 1_545 Te8 Cs2 3.9062(17) 7 Te8 Cs2 3.9062(17) 7_545 Te9 Bi5 2.9614(12) 1_545 Te9 Cs2 3.9993(18) 7_544 Te9 Cs2 3.9993(18) 7_554 Te10 Bi8 2.9957(12) 1_565 Te10 Cs1 3.933(2) 1_565 Te11 Bi7 3.0021(12) 5_556 Te11 Bi7 3.0021(12) 5_566 Te11 Cs1 4.0214(19) 5_556 Te11 Cs1 4.0214(19) 5_566 Te11 Cs1 4.1035(19) 1_565 Te12 Bi8 3.2759(13) 1_565 Te12 Bi7 3.3134(13) 1_554 Te12 Bi7 3.3134(13) 1_564