#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/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'
'Hansjürgen 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       'ω 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+0.001xFc²λ³/sin(2θ)]^-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/[σ²(Fo²)+(0.0000P)²+85.2061P] where P=(Fo²+2Fc²)/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_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 ?
