#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/10/07/1100717.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_1100717 loop_ _publ_author_name 'Chong Zheng' 'Hansj\"urgen Mattausch' 'Arndt Simon' _publ_section_title ; La9Sb16Br3 and Ce9Sb16Cl3: Stars and Stripes in Rare Earth Halide and Intermetallic Compounds ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 3684 _journal_page_last 3689 _journal_paper_doi 10.1021/ic049220u _journal_volume 44 _journal_year 2005 _chemical_formula_sum 'Br3 La9 Sb16' _chemical_formula_weight 3437.92 _chemical_name_systematic ; ? ; _space_group_IT_number 176 _symmetry_cell_setting hexagonal _symmetry_space_group_name_Hall '-P 6c' _symmetry_space_group_name_H-M 'P 63/m' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_formula_units_Z 2 _cell_length_a 21.232(5) _cell_length_b 21.232(5) _cell_length_c 4.323(2) _cell_measurement_reflns_used 565 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 14 _cell_measurement_theta_min -14 _cell_volume 1687.7(10) _computing_cell_refinement 'SMART and SAINT (Bruker, 1999)' _computing_data_collection 'SMART (Bruker, 1999)' _computing_data_reduction 'SAINT (Bruker, 1999)' _computing_molecular_graphics 'SHELXTL (Sheldrick, 1997)' _computing_publication_material 'SHELXTL (Sheldrick, 1997)' _computing_structure_refinement 'SHELXTL (Sheldrick, 1997)' _computing_structure_solution 'SIR97 (Altomare et al., 1999)' _diffrn_ambient_temperature 293(2) _diffrn_detector_area_resol_mean 0 _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device_type 'Siemens SMART CCD PLATFORM' _diffrn_measurement_method '\w scans' _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 0.0233 _diffrn_reflns_av_sigmaI/netI 0.0130 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_k_max 25 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_l_max 5 _diffrn_reflns_limit_l_min -5 _diffrn_reflns_number 8423 _diffrn_reflns_theta_full 24.98 _diffrn_reflns_theta_max 24.98 _diffrn_reflns_theta_min 1.92 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 27.202 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.474137 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Sheldrick, 2000)' _exptl_crystal_colour metallic _exptl_crystal_density_diffrn 6.766 _exptl_crystal_density_method 'not measured' _exptl_crystal_description needle _exptl_crystal_F_000 2868 _exptl_crystal_size_max 0.42 _exptl_crystal_size_mid 0.02 _exptl_crystal_size_min 0.02 _refine_diff_density_max 4.202 _refine_diff_density_min -2.276 _refine_diff_density_rms 0.333 _refine_ls_extinction_coef 0.000206(19) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method SHELXL _refine_ls_goodness_of_fit_ref 1.608 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 58 _refine_ls_number_reflns 1130 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.608 _refine_ls_R_factor_all 0.0411 _refine_ls_R_factor_gt 0.0411 _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^)+(0.0000P)^2^+85.2061P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0866 _refine_ls_wR_factor_ref 0.0866 _reflns_number_gt 1130 _reflns_number_total 1130 _reflns_threshold_expression >2sigma(I) _cod_data_source_file ic049220usi20040615_061213.cif _cod_data_source_block La9Sb16Br3 _cod_original_cell_volume 1687.5(10) _cod_database_code 1100717 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' '-y, x-y, z' '-x+y, -x, z' 'x-y, x, z+1/2' 'y, -x+y, z+1/2' '-x, -y, -z' 'x, y, -z-1/2' 'y, -x+y, -z' 'x-y, x, -z' '-x+y, -x, -z-1/2' '-y, x-y, -z-1/2' 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 La1 La 0.54177(6) 0.30907(6) 0.2500 0.0116(3) Uani 1 2 d S . . La2 La 0.15177(7) 0.24644(7) 0.2500 0.0142(3) Uani 1 2 d S . . La3 La 0.39401(7) 0.40126(7) 0.2500 0.0133(3) Uani 1 2 d S . . Sb1 Sb 0.3333 0.6667 0.2500 0.0126(5) Uani 1 6 d S . . Sb2 Sb 0.48461(8) 0.58790(8) 0.2500 0.0139(3) Uani 1 2 d S . . Sb3 Sb 0.50849(8) 0.13684(8) 0.2500 0.0163(4) Uani 1 2 d S . . Sb4 Sb 0.25005(7) 0.42872(8) 0.2500 0.0129(3) Uani 1 2 d S . . Sb5 Sb 0.35740(8) 0.22580(8) 0.2500 0.0164(4) Uani 1 2 d S . . Sb6 Sb 0.00952(8) 0.28500(8) 0.2500 0.0151(3) Uani 1 2 d S . . Br Br 0.14803(12) 0.09809(12) 0.2500 0.0180(5) 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 La1 0.0121(6) 0.0111(6) 0.0119(6) 0.000 0.000 0.0061(5) La2 0.0144(6) 0.0143(6) 0.0149(7) 0.000 0.000 0.0080(5) La3 0.0131(6) 0.0129(6) 0.0143(7) 0.000 0.000 0.0068(5) Sb1 0.0131(7) 0.0131(7) 0.0115(13) 0.000 0.000 0.0066(4) Sb2 0.0140(7) 0.0146(7) 0.0141(8) 0.000 0.000 0.0079(6) Sb3 0.0144(7) 0.0126(7) 0.0199(9) 0.000 0.000 0.0051(6) Sb4 0.0122(7) 0.0128(7) 0.0135(8) 0.000 0.000 0.0061(6) Sb5 0.0125(7) 0.0125(7) 0.0211(8) 0.000 0.000 0.0038(6) Sb6 0.0163(7) 0.0131(7) 0.0153(8) 0.000 0.000 0.0070(6) Br 0.0203(11) 0.0180(11) 0.0183(12) 0.000 0.000 0.0114(9) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' La La -0.2871 2.4523 '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 _geom_angle_publ_flag Sb1 La1 Sb1 83.17(4) 7_666 7_665 ? Sb1 La1 Sb2 81.71(3) 7_666 7_666 ? Sb1 La1 Sb2 136.15(5) 7_665 7_666 ? Sb1 La1 Sb2 136.15(5) 7_666 7_665 ? Sb1 La1 Sb2 81.71(3) 7_665 7_665 ? Sb2 La1 Sb2 81.35(5) 7_666 7_665 ? Sb1 La1 Sb3 83.37(3) 7_666 4_665 ? Sb1 La1 Sb3 83.37(3) 7_665 4_665 ? Sb2 La1 Sb3 54.15(3) 7_666 4_665 ? Sb2 La1 Sb3 54.15(3) 7_665 4_665 ? Sb1 La1 Sb3 83.32(3) 7_666 . ? Sb1 La1 Sb3 83.32(3) 7_665 . ? Sb2 La1 Sb3 134.83(3) 7_666 . ? Sb2 La1 Sb3 134.83(3) 7_665 . ? Sb3 La1 Sb3 162.18(5) 4_665 . ? Sb1 La1 Sb4 137.88(4) 7_666 9 ? Sb1 La1 Sb4 83.91(3) 7_665 9 ? Sb2 La1 Sb4 132.17(5) 7_666 9 ? Sb2 La1 Sb4 80.72(4) 7_665 9 ? Sb3 La1 Sb4 134.38(3) 4_665 9 ? Sb3 La1 Sb4 55.41(3) . 9 ? Sb1 La1 Sb4 83.91(3) 7_666 9_556 ? Sb1 La1 Sb4 137.88(5) 7_665 9_556 ? Sb2 La1 Sb4 80.72(4) 7_666 9_556 ? Sb2 La1 Sb4 132.17(5) 7_665 9_556 ? Sb3 La1 Sb4 134.38(3) 4_665 9_556 ? Sb3 La1 Sb4 55.41(3) . 9_556 ? Sb4 La1 Sb4 79.38(5) 9 9_556 ? Sb1 La1 Sb5 135.90(2) 7_666 . ? Sb1 La1 Sb5 135.90(2) 7_665 . ? Sb2 La1 Sb5 79.19(4) 7_666 . ? Sb2 La1 Sb5 79.19(4) 7_665 . ? Sb3 La1 Sb5 115.12(5) 4_665 . ? Sb3 La1 Sb5 82.70(4) . . ? Sb4 La1 Sb5 54.02(3) 9 . ? Sb4 La1 Sb5 54.02(3) 9_556 . ? Sb1 La1 La1 49.629(16) 7_666 4_665 ? Sb1 La1 La1 49.629(15) 7_665 4_665 ? Sb2 La1 La1 90.43(4) 7_666 4_665 ? Sb2 La1 La1 90.43(4) 7_665 4_665 ? Sb3 La1 La1 51.13(4) 4_665 4_665 ? Sb3 La1 La1 111.05(4) . 4_665 ? Sb4 La1 La1 133.53(3) 9 4_665 ? Sb4 La1 La1 133.53(3) 9_556 4_665 ? Sb5 La1 La1 166.25(5) . 4_665 ? Sb1 La1 La1 49.628(15) 7_666 3_655 ? Sb1 La1 La1 49.628(15) 7_665 3_655 ? Sb2 La1 La1 131.34(3) 7_666 3_655 ? Sb2 La1 La1 131.34(3) 7_665 3_655 ? Sb3 La1 La1 111.12(4) 4_665 3_655 ? Sb3 La1 La1 51.05(4) . 3_655 ? Sb4 La1 La1 92.71(4) 9 3_655 ? Sb4 La1 La1 92.71(4) 9_556 3_655 ? Sb5 La1 La1 133.75(5) . 3_655 ? La1 La1 La1 60.0 4_665 3_655 ? Br La2 Br 90.93(8) 10 10_556 ? Br La2 Br 69.75(7) 10 . ? Br La2 Br 69.75(7) 10_556 . ? Br La2 Sb4 127.79(5) 10 . ? Br La2 Sb4 127.79(5) 10_556 . ? Br La2 Sb4 148.68(6) . . ? Br La2 Sb6 146.00(6) 10 9_556 ? Br La2 Sb6 85.00(5) 10_556 9_556 ? Br La2 Sb6 77.23(5) . 9_556 ? Sb4 La2 Sb6 78.90(4) . 9_556 ? Br La2 Sb6 85.00(5) 10 9 ? Br La2 Sb6 146.00(6) 10_556 9 ? Br La2 Sb6 77.23(5) . 9 ? Sb4 La2 Sb6 78.90(4) . 9 ? Sb6 La2 Sb6 79.98(5) 9_556 9 ? Br La2 Sb5 129.88(6) 10 10_556 ? Br La2 Sb5 74.29(5) 10_556 10_556 ? Br La2 Sb5 139.30(3) . 10_556 ? Sb4 La2 Sb5 54.42(3) . 10_556 ? Sb6 La2 Sb5 81.33(4) 9_556 10_556 ? Sb6 La2 Sb5 132.19(5) 9 10_556 ? Br La2 Sb5 74.29(5) 10 10 ? Br La2 Sb5 129.88(6) 10_556 10 ? Br La2 Sb5 139.30(3) . 10 ? Sb4 La2 Sb5 54.42(3) . 10 ? Sb6 La2 Sb5 132.19(5) 9_556 10 ? Sb6 La2 Sb5 81.33(4) 9 10 ? Sb5 La2 Sb5 79.54(5) 10_556 10 ? Br La2 Sb6 76.11(5) 10 . ? Br La2 Sb6 76.11(5) 10_556 . ? Br La2 Sb6 130.41(6) . . ? Sb4 La2 Sb6 80.91(4) . . ? Sb6 La2 Sb6 134.58(3) 9_556 . ? Sb6 La2 Sb6 134.58(3) 9 . ? Sb5 La2 Sb6 53.99(3) 10_556 . ? Sb5 La2 Sb6 53.99(3) 10 . ? Sb2 La3 Sb2 82.37(5) 7_666 7_665 ? Sb2 La3 Sb6 133.91(5) 7_666 9 ? Sb2 La3 Sb6 80.48(4) 7_665 9 ? Sb2 La3 Sb6 80.48(4) 7_666 9_556 ? Sb2 La3 Sb6 133.91(5) 7_665 9_556 ? Sb6 La3 Sb6 81.42(5) 9 9_556 ? Sb2 La3 Sb3 84.28(4) 7_666 10_556 ? Sb2 La3 Sb3 138.80(5) 7_665 10_556 ? Sb6 La3 Sb3 133.73(5) 9 10_556 ? Sb6 La3 Sb3 81.22(4) 9_556 10_556 ? Sb2 La3 Sb3 138.80(5) 7_666 10 ? Sb2 La3 Sb3 84.28(4) 7_665 10 ? Sb6 La3 Sb3 81.22(4) 9 10 ? Sb6 La3 Sb3 133.73(5) 9_556 10 ? Sb3 La3 Sb3 80.62(5) 10_556 10 ? Sb2 La3 Sb4 137.11(3) 7_666 . ? Sb2 La3 Sb4 137.11(3) 7_665 . ? Sb6 La3 Sb4 79.16(4) 9 . ? Sb6 La3 Sb4 79.16(4) 9_556 . ? Sb3 La3 Sb4 55.57(3) 10_556 . ? Sb3 La3 Sb4 55.57(3) 10 . ? Sb2 La3 Sb5 79.53(4) 7_666 . ? Sb2 La3 Sb5 79.53(4) 7_665 . ? Sb6 La3 Sb5 55.43(3) 9 . ? Sb6 La3 Sb5 55.43(3) 9_556 . ? Sb3 La3 Sb5 135.51(3) 10_556 . ? Sb3 La3 Sb5 135.51(3) 10 . ? Sb4 La3 Sb5 117.17(5) . . ? Sb2 La3 Sb2 87.24(4) 7_666 . ? Sb2 La3 Sb2 87.24(4) 7_665 . ? Sb6 La3 Sb2 133.87(3) 9 . ? Sb6 La3 Sb2 133.87(3) 9_556 . ? Sb3 La3 Sb2 53.26(3) 10_556 . ? Sb3 La3 Sb2 53.26(3) 10 . ? Sb4 La3 Sb2 80.46(4) . . ? Sb5 La3 Sb2 162.37(5) . . ? La1 Sb1 La1 83.17(4) 10 10_556 ? La1 Sb1 La1 136.078(15) 10 9_566 ? La1 Sb1 La1 80.74(3) 10_556 9_566 ? La1 Sb1 La1 80.74(3) 10 9_565 ? La1 Sb1 La1 136.078(14) 10_556 9_565 ? La1 Sb1 La1 83.17(4) 9_566 9_565 ? La1 Sb1 La1 136.077(15) 10 7_666 ? La1 Sb1 La1 80.74(3) 10_556 7_666 ? La1 Sb1 La1 80.75(3) 9_566 7_666 ? La1 Sb1 La1 136.079(14) 9_565 7_666 ? La1 Sb1 La1 80.74(3) 10 7_665 ? La1 Sb1 La1 136.077(14) 10_556 7_665 ? La1 Sb1 La1 136.079(14) 9_566 7_665 ? La1 Sb1 La1 80.75(3) 9_565 7_665 ? La1 Sb1 La1 83.17(4) 7_666 7_665 ? Sb3 Sb2 Sb3 90.74(6) 10 10_556 ? Sb3 Sb2 La3 151.89(6) 10 7_666 ? Sb3 Sb2 La3 86.84(4) 10_556 7_666 ? Sb3 Sb2 La3 86.84(4) 10 7_665 ? Sb3 Sb2 La3 151.89(6) 10_556 7_665 ? La3 Sb2 La3 82.37(5) 7_666 7_665 ? Sb3 Sb2 La1 118.89(6) 10 7_666 ? Sb3 Sb2 La1 63.60(4) 10_556 7_666 ? La3 Sb2 La1 84.85(4) 7_666 7_666 ? La3 Sb2 La1 140.23(6) 7_665 7_666 ? Sb3 Sb2 La1 63.60(4) 10 7_665 ? Sb3 Sb2 La1 118.89(6) 10_556 7_665 ? La3 Sb2 La1 140.23(6) 7_666 7_665 ? La3 Sb2 La1 84.85(4) 7_665 7_665 ? La1 Sb2 La1 81.35(5) 7_666 7_665 ? Sb3 Sb2 La3 61.82(4) 10 . ? Sb3 Sb2 La3 61.82(4) 10_556 . ? La3 Sb2 La3 92.76(4) 7_666 . ? La3 Sb2 La3 92.76(4) 7_665 . ? La1 Sb2 La3 125.42(4) 7_666 . ? La1 Sb2 La3 125.42(4) 7_665 . ? Sb2 Sb3 Sb2 90.74(6) 9_556 9 ? Sb2 Sb3 Sb4 177.21(6) 9_556 9 ? Sb2 Sb3 Sb4 91.02(4) 9 9 ? Sb2 Sb3 Sb4 91.02(4) 9_556 9_556 ? Sb2 Sb3 Sb4 177.21(6) 9 9_556 ? Sb4 Sb3 Sb4 87.14(6) 9 9_556 ? Sb2 Sb3 La3 119.80(6) 9_556 9 ? Sb2 Sb3 La3 64.92(4) 9 9 ? Sb4 Sb3 La3 62.95(4) 9 9 ? Sb4 Sb3 La3 115.91(6) 9_556 9 ? Sb2 Sb3 La3 64.92(4) 9_556 9_556 ? Sb2 Sb3 La3 119.80(6) 9 9_556 ? Sb4 Sb3 La3 115.91(6) 9 9_556 ? Sb4 Sb3 La3 62.95(4) 9_556 9_556 ? La3 Sb3 La3 80.62(5) 9 9_556 ? Sb2 Sb3 La1 62.25(4) 9_556 3_655 ? Sb2 Sb3 La1 62.25(4) 9 3_655 ? Sb4 Sb3 La1 116.83(4) 9 3_655 ? Sb4 Sb3 La1 116.83(4) 9_556 3_655 ? La3 Sb3 La1 127.17(4) 9 3_655 ? La3 Sb3 La1 127.17(4) 9_556 3_655 ? Sb2 Sb3 La1 114.58(4) 9_556 . ? Sb2 Sb3 La1 114.58(4) 9 . ? Sb4 Sb3 La1 62.69(4) 9 . ? Sb4 Sb3 La1 62.69(4) 9_556 . ? La3 Sb3 La1 125.61(4) 9 . ? La3 Sb3 La1 125.61(4) 9_556 . ? La1 Sb3 La1 77.82(5) 3_655 . ? Sb5 Sb4 Sb5 89.16(6) 10 10_556 ? Sb5 Sb4 Sb3 177.30(6) 10 10_556 ? Sb5 Sb4 Sb3 91.79(4) 10_556 10_556 ? Sb5 Sb4 Sb3 91.79(4) 10 10 ? Sb5 Sb4 Sb3 177.30(6) 10_556 10 ? Sb3 Sb4 Sb3 87.14(6) 10_556 10 ? Sb5 Sb4 La2 63.18(4) 10 . ? Sb5 Sb4 La2 63.18(4) 10_556 . ? Sb3 Sb4 La2 119.49(4) 10_556 . ? Sb3 Sb4 La2 119.49(4) 10 . ? Sb5 Sb4 La1 116.44(5) 10 10_556 ? Sb5 Sb4 La1 63.18(4) 10_556 10_556 ? Sb3 Sb4 La1 61.89(4) 10_556 10_556 ? Sb3 Sb4 La1 114.16(5) 10 10_556 ? La2 Sb4 La1 126.35(4) . 10_556 ? Sb5 Sb4 La1 63.18(4) 10 10 ? Sb5 Sb4 La1 116.44(5) 10_556 10 ? Sb3 Sb4 La1 114.16(5) 10_556 10 ? Sb3 Sb4 La1 61.89(4) 10 10 ? La2 Sb4 La1 126.35(4) . 10 ? La1 Sb4 La1 79.38(5) 10_556 10 ? Sb5 Sb4 La3 120.07(4) 10 . ? Sb5 Sb4 La3 120.07(4) 10_556 . ? Sb3 Sb4 La3 61.49(4) 10_556 . ? Sb3 Sb4 La3 61.49(4) 10 . ? La2 Sb4 La3 84.01(4) . . ? La1 Sb4 La3 123.36(4) 10_556 . ? La1 Sb4 La3 123.36(4) 10 . ? Sb4 Sb5 Sb4 89.16(6) 9_556 9 ? Sb4 Sb5 Sb6 179.07(5) 9_556 9 ? Sb4 Sb5 Sb6 91.67(4) 9 9 ? Sb4 Sb5 Sb6 91.67(4) 9_556 9_556 ? Sb4 Sb5 Sb6 179.07(5) 9 9_556 ? Sb6 Sb5 Sb6 87.50(6) 9 9_556 ? Sb4 Sb5 La2 115.77(6) 9_556 9 ? Sb4 Sb5 La2 62.40(4) 9 9 ? Sb6 Sb5 La2 65.02(4) 9 9 ? Sb6 Sb5 La2 117.55(6) 9_556 9 ? Sb4 Sb5 La2 62.40(4) 9_556 9_556 ? Sb4 Sb5 La2 115.77(6) 9 9_556 ? Sb6 Sb5 La2 117.55(6) 9 9_556 ? Sb6 Sb5 La2 65.02(4) 9_556 9_556 ? La2 Sb5 La2 79.54(5) 9 9_556 ? Sb4 Sb5 La1 62.80(4) 9_556 . ? Sb4 Sb5 La1 62.80(4) 9 . ? Sb6 Sb5 La1 117.25(4) 9 . ? Sb6 Sb5 La1 117.25(4) 9_556 . ? La2 Sb5 La1 125.20(4) 9 . ? La2 Sb5 La1 125.20(4) 9_556 . ? Sb4 Sb5 La3 118.39(4) 9_556 . ? Sb4 Sb5 La3 118.39(4) 9 . ? Sb6 Sb5 La3 60.82(4) 9 . ? Sb6 Sb5 La3 60.82(4) 9_556 . ? La2 Sb5 La3 125.83(4) 9 . ? La2 Sb5 La3 125.83(4) 9_556 . ? La1 Sb5 La3 81.79(4) . . ? Sb5 Sb6 Sb5 87.50(6) 10_556 10 ? Sb5 Sb6 La3 63.75(4) 10_556 10_556 ? Sb5 Sb6 La3 117.37(6) 10 10_556 ? Sb5 Sb6 La3 117.37(6) 10_556 10 ? Sb5 Sb6 La3 63.75(4) 10 10 ? La3 Sb6 La3 81.42(5) 10_556 10 ? Sb5 Sb6 La2 153.27(6) 10_556 10 ? Sb5 Sb6 La2 90.25(4) 10 10 ? La3 Sb6 La2 138.72(6) 10_556 10 ? La3 Sb6 La2 85.02(4) 10 10 ? Sb5 Sb6 La2 90.25(4) 10_556 10_556 ? Sb5 Sb6 La2 153.27(6) 10 10_556 ? La3 Sb6 La2 85.02(4) 10_556 10_556 ? La3 Sb6 La2 138.72(6) 10 10_556 ? La2 Sb6 La2 79.98(5) 10 10_556 ? Sb5 Sb6 La2 60.98(4) 10_556 . ? Sb5 Sb6 La2 60.98(4) 10 . ? La3 Sb6 La2 124.73(4) 10_556 . ? La3 Sb6 La2 124.73(4) 10 . ? La2 Sb6 La2 94.87(5) 10 . ? La2 Sb6 La2 94.87(5) 10_556 . ? La2 Br La2 90.92(8) 9_556 9 ? La2 Br La2 110.81(6) 9_556 . ? La2 Br La2 110.81(6) 9 . ? 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 La1 Sb1 3.2561(12) 7_666 ? La1 Sb1 3.2561(12) 7_665 ? La1 Sb2 3.3159(16) 7_666 ? La1 Sb2 3.3159(16) 7_665 ? La1 Sb3 3.356(2) 4_665 ? La1 Sb3 3.360(2) . ? La1 Sb4 3.3842(16) 9 ? La1 Sb4 3.3842(16) 9_556 ? La1 Sb5 3.395(2) . ? La1 La1 4.218(2) 4_665 ? La1 La1 4.218(2) 3_655 ? La2 Br 3.032(2) 10 ? La2 Br 3.032(2) 10_556 ? La2 Br 3.111(3) . ? La2 Sb4 3.355(2) . ? La2 Sb6 3.3629(16) 9_556 ? La2 Sb6 3.3629(16) 9 ? La2 Sb5 3.3785(16) 10_556 ? La2 Sb5 3.3785(16) 10 ? La2 Sb6 3.502(2) . ? La3 Sb2 3.2822(16) 7_666 ? La3 Sb2 3.2822(16) 7_665 ? La3 Sb6 3.3136(16) 9 ? La3 Sb6 3.3136(16) 9_556 ? La3 Sb3 3.3407(16) 10_556 ? La3 Sb3 3.3407(16) 10 ? La3 Sb4 3.386(2) . ? La3 Sb5 3.404(2) . ? La3 Sb2 3.432(2) . ? Sb1 La1 3.2561(12) 10 ? Sb1 La1 3.2561(12) 10_556 ? Sb1 La1 3.2561(12) 9_566 ? Sb1 La1 3.2561(12) 9_565 ? Sb1 La1 3.2561(12) 7_666 ? Sb1 La1 3.2561(12) 7_665 ? Sb2 Sb3 3.0369(16) 10 ? Sb2 Sb3 3.0369(16) 10_556 ? Sb2 La3 3.2823(16) 7_666 ? Sb2 La3 3.2823(16) 7_665 ? Sb2 La1 3.3158(16) 7_666 ? Sb2 La1 3.3158(16) 7_665 ? Sb3 Sb2 3.0369(16) 9_556 ? Sb3 Sb2 3.0369(16) 9 ? Sb3 Sb4 3.1356(16) 9 ? Sb3 Sb4 3.1356(16) 9_556 ? Sb3 La3 3.3407(16) 9 ? Sb3 La3 3.3407(16) 9_556 ? Sb3 La1 3.356(2) 3_655 ? Sb4 Sb5 3.0791(16) 10 ? Sb4 Sb5 3.0791(16) 10_556 ? Sb4 Sb3 3.1356(17) 10_556 ? Sb4 Sb3 3.1356(16) 10 ? Sb4 La1 3.3842(16) 10_556 ? Sb4 La1 3.3842(16) 10 ? Sb5 Sb4 3.0791(16) 9_556 ? Sb5 Sb4 3.0791(16) 9 ? Sb5 Sb6 3.1253(17) 9 ? Sb5 Sb6 3.1253(17) 9_556 ? Sb5 La2 3.3785(16) 9 ? Sb5 La2 3.3785(16) 9_556 ? Sb6 Sb5 3.1254(17) 10_556 ? Sb6 Sb5 3.1254(17) 10 ? Sb6 La3 3.3135(16) 10_556 ? Sb6 La3 3.3135(16) 10 ? Sb6 La2 3.3628(16) 10 ? Sb6 La2 3.3628(16) 10_556 ? Br La2 3.032(2) 9_556 ? Br La2 3.032(2) 9 ?