#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/07/1100718.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_1100718
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            'Ce9 Cl3 Sb16'
_chemical_formula_weight         3315.43
_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                   20.8622(16)
_cell_length_b                   20.8622(16)
_cell_length_c                   4.2728(7)
_cell_measurement_reflns_used    327
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      -14
_cell_volume                     1610.5(3)
_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 0.906
_diffrn_measured_fraction_theta_max 0.906
_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  0.0432
_diffrn_reflns_av_sigmaI/netI    0.0199
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            9996
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         1.95
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    25.812
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2000)'
_exptl_crystal_colour            metallic
_exptl_crystal_density_diffrn    6.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2778
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         3.160
_refine_diff_density_min         -3.015
_refine_diff_density_rms         0.512
_refine_ls_extinction_coef       0.000061(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   1.486
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     58
_refine_ls_number_reflns         979
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.486
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0519
_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+164.7807P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1043
_refine_ls_wR_factor_ref         0.1044
_reflns_number_gt                976
_reflns_number_total             979
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049220usi20040615_061240.cif
_cod_data_source_block           Ce9Sb16Cl3
_cod_database_code               1100718
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
Ce1 Ce 0.54055(8) 0.30873(9) 0.2500 0.0091(4) Uani 1 2 d S . .
Ce2 Ce 0.14413(9) 0.23798(9) 0.2500 0.0103(4) Uani 1 2 d S . .
Ce3 Ce 0.39230(9) 0.40020(9) 0.2500 0.0106(4) Uani 1 2 d S . .
Sb1 Sb 0.3333 0.6667 0.2500 0.0099(7) Uani 1 6 d S . .
Sb2 Sb 0.48666(10) 0.58939(10) 0.2500 0.0105(4) Uani 1 2 d S . .
Sb3 Sb 0.50829(10) 0.13678(10) 0.2500 0.0127(5) Uani 1 2 d S . .
Sb4 Sb 0.24782(10) 0.42551(10) 0.2500 0.0108(4) Uani 1 2 d S . .
Sb5 Sb 0.35343(10) 0.22453(10) 0.2500 0.0117(5) Uani 1 2 d S . .
Sb6 Sb 0.00488(11) 0.28013(11) 0.2500 0.0127(5) Uani 1 2 d S . .
Cl Cl 0.1475(4) 0.0985(4) 0.2500 0.0169(15) 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
Cl Cl 0.1484 0.1585 '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'
Ce Ce -0.2486 2.6331 '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 Ce1 Sb1 82.97(4) 7_666 7_665 ?
Sb1 Ce1 Sb2 81.73(3) 7_666 7_666 ?
Sb1 Ce1 Sb2 136.48(6) 7_665 7_666 ?
Sb1 Ce1 Sb2 136.48(6) 7_666 7_665 ?
Sb1 Ce1 Sb2 81.73(3) 7_665 7_665 ?
Sb2 Ce1 Sb2 81.97(6) 7_666 7_665 ?
Sb1 Ce1 Sb3 83.10(4) 7_666 . ?
Sb1 Ce1 Sb3 83.10(4) 7_665 . ?
Sb2 Ce1 Sb3 134.54(4) 7_666 . ?
Sb2 Ce1 Sb3 134.54(4) 7_665 . ?
Sb1 Ce1 Sb3 83.03(4) 7_666 4_665 ?
Sb1 Ce1 Sb3 83.03(4) 7_665 4_665 ?
Sb2 Ce1 Sb3 54.82(4) 7_666 4_665 ?
Sb2 Ce1 Sb3 54.82(4) 7_665 4_665 ?
Sb3 Ce1 Sb3 161.44(7) . 4_665 ?
Sb1 Ce1 Sb4 138.28(6) 7_666 9 ?
Sb1 Ce1 Sb4 84.38(3) 7_665 9 ?
Sb2 Ce1 Sb4 131.52(7) 7_666 9 ?
Sb2 Ce1 Sb4 80.03(4) 7_665 9 ?
Sb3 Ce1 Sb4 55.96(4) . 9 ?
Sb3 Ce1 Sb4 134.37(4) 4_665 9 ?
Sb1 Ce1 Sb4 84.38(3) 7_666 9_556 ?
Sb1 Ce1 Sb4 138.28(6) 7_665 9_556 ?
Sb2 Ce1 Sb4 80.03(4) 7_666 9_556 ?
Sb2 Ce1 Sb4 131.52(7) 7_665 9_556 ?
Sb3 Ce1 Sb4 55.96(4) . 9_556 ?
Sb3 Ce1 Sb4 134.37(4) 4_665 9_556 ?
Sb4 Ce1 Sb4 79.18(5) 9 9_556 ?
Sb1 Ce1 Sb5 136.03(3) 7_666 . ?
Sb1 Ce1 Sb5 136.03(3) 7_665 . ?
Sb2 Ce1 Sb5 78.86(5) 7_666 . ?
Sb2 Ce1 Sb5 78.86(5) 7_665 . ?
Sb3 Ce1 Sb5 83.14(6) . . ?
Sb3 Ce1 Sb5 115.42(6) 4_665 . ?
Sb4 Ce1 Sb5 53.66(4) 9 . ?
Sb4 Ce1 Sb5 53.66(4) 9_556 . ?
Cl Ce2 Cl 95.6(2) 10 10_556 ?
Cl Ce2 Cl 72.6(2) 10 . ?
Cl Ce2 Cl 72.6(2) 10_556 . ?
Cl Ce2 Sb6 149.08(16) 10 9_556 ?
Cl Ce2 Sb6 84.50(13) 10_556 9_556 ?
Cl Ce2 Sb6 77.97(11) . 9_556 ?
Cl Ce2 Sb6 84.50(13) 10 9 ?
Cl Ce2 Sb6 149.08(16) 10_556 9 ?
Cl Ce2 Sb6 77.97(11) . 9 ?
Sb6 Ce2 Sb6 80.14(6) 9_556 9 ?
Cl Ce2 Sb5 131.40(15) 10 10_556 ?
Cl Ce2 Sb5 73.55(13) 10_556 10_556 ?
Cl Ce2 Sb5 140.14(3) . 10_556 ?
Sb6 Ce2 Sb5 78.37(4) 9_556 10_556 ?
Sb6 Ce2 Sb5 128.25(7) 9 10_556 ?
Cl Ce2 Sb5 73.55(13) 10 10 ?
Cl Ce2 Sb5 131.40(15) 10_556 10 ?
Cl Ce2 Sb5 140.14(3) . 10 ?
Sb6 Ce2 Sb5 128.25(7) 9_556 10 ?
Sb6 Ce2 Sb5 78.37(4) 9 10 ?
Sb5 Ce2 Sb5 79.21(5) 10_556 10 ?
Cl Ce2 Sb4 126.00(12) 10 . ?
Cl Ce2 Sb4 126.00(12) 10_556 . ?
Cl Ce2 Sb4 145.32(15) . . ?
Sb6 Ce2 Sb4 75.66(5) 9_556 . ?
Sb6 Ce2 Sb4 75.66(5) 9 . ?
Sb5 Ce2 Sb4 53.59(4) 10_556 . ?
Sb5 Ce2 Sb4 53.59(4) 10 . ?
Cl Ce2 Sb6 76.96(15) 10 . ?
Cl Ce2 Sb6 76.96(15) 10_556 . ?
Cl Ce2 Sb6 134.01(15) . . ?
Sb6 Ce2 Sb6 132.41(4) 9_556 . ?
Sb6 Ce2 Sb6 132.41(4) 9 . ?
Sb5 Ce2 Sb6 54.48(4) 10_556 . ?
Sb5 Ce2 Sb6 54.48(4) 10 . ?
Sb4 Ce2 Sb6 80.67(6) . . ?
Sb2 Ce3 Sb2 82.79(6) 7_666 7_665 ?
Sb2 Ce3 Sb6 135.07(7) 7_666 9 ?
Sb2 Ce3 Sb6 81.12(4) 7_665 9 ?
Sb2 Ce3 Sb6 81.12(4) 7_666 9_556 ?
Sb2 Ce3 Sb6 135.07(7) 7_665 9_556 ?
Sb6 Ce3 Sb6 81.39(6) 9 9_556 ?
Sb2 Ce3 Sb3 83.74(4) 7_666 10_556 ?
Sb2 Ce3 Sb3 138.59(7) 7_665 10_556 ?
Sb6 Ce3 Sb3 133.03(7) 9 10_556 ?
Sb6 Ce3 Sb3 80.52(4) 9_556 10_556 ?
Sb2 Ce3 Sb3 138.59(7) 7_666 10 ?
Sb2 Ce3 Sb3 83.74(4) 7_665 10 ?
Sb6 Ce3 Sb3 80.52(4) 9 10 ?
Sb6 Ce3 Sb3 133.03(7) 9_556 10 ?
Sb3 Ce3 Sb3 81.02(6) 10_556 10 ?
Sb2 Ce3 Sb4 137.11(3) 7_666 . ?
Sb2 Ce3 Sb4 137.11(3) 7_665 . ?
Sb6 Ce3 Sb4 77.39(5) 9 . ?
Sb6 Ce3 Sb4 77.39(5) 9_556 . ?
Sb3 Ce3 Sb4 56.48(4) 10_556 . ?
Sb3 Ce3 Sb4 56.48(4) 10 . ?
Sb2 Ce3 Sb5 80.00(5) 7_666 . ?
Sb2 Ce3 Sb5 80.00(5) 7_665 . ?
Sb6 Ce3 Sb5 56.02(4) 9 . ?
Sb6 Ce3 Sb5 56.02(4) 9_556 . ?
Sb3 Ce3 Sb5 135.29(4) 10_556 . ?
Sb3 Ce3 Sb5 135.29(4) 10 . ?
Sb4 Ce3 Sb5 115.78(7) . . ?
Sb2 Ce3 Sb2 86.73(5) 7_666 . ?
Sb2 Ce3 Sb2 86.73(5) 7_665 . ?
Sb6 Ce3 Sb2 133.51(4) 9 . ?
Sb6 Ce3 Sb2 133.51(4) 9_556 . ?
Sb3 Ce3 Sb2 53.52(4) 10_556 . ?
Sb3 Ce3 Sb2 53.52(4) 10 . ?
Sb4 Ce3 Sb2 81.97(6) . . ?
Sb5 Ce3 Sb2 162.25(7) . . ?
Ce1 Sb1 Ce1 82.98(4) 10 10_556 ?
Ce1 Sb1 Ce1 136.007(13) 10 9_566 ?
Ce1 Sb1 Ce1 80.89(3) 10_556 9_566 ?
Ce1 Sb1 Ce1 80.89(3) 10 9_565 ?
Ce1 Sb1 Ce1 136.007(14) 10_556 9_565 ?
Ce1 Sb1 Ce1 82.98(4) 9_566 9_565 ?
Ce1 Sb1 Ce1 136.006(13) 10 7_666 ?
Ce1 Sb1 Ce1 80.89(3) 10_556 7_666 ?
Ce1 Sb1 Ce1 80.89(3) 9_566 7_666 ?
Ce1 Sb1 Ce1 136.009(14) 9_565 7_666 ?
Ce1 Sb1 Ce1 80.89(3) 10 7_665 ?
Ce1 Sb1 Ce1 136.006(13) 10_556 7_665 ?
Ce1 Sb1 Ce1 136.009(14) 9_566 7_665 ?
Ce1 Sb1 Ce1 80.89(3) 9_565 7_665 ?
Ce1 Sb1 Ce1 82.97(4) 7_666 7_665 ?
Sb3 Sb2 Sb3 89.97(7) 10 10_556 ?
Sb3 Sb2 Ce3 151.74(8) 10 7_666 ?
Sb3 Sb2 Ce3 86.90(4) 10_556 7_666 ?
Sb3 Sb2 Ce3 86.90(4) 10 7_665 ?
Sb3 Sb2 Ce3 151.74(8) 10_556 7_665 ?
Ce3 Sb2 Ce3 82.79(6) 7_666 7_665 ?
Sb3 Sb2 Ce1 118.68(7) 10 7_666 ?
Sb3 Sb2 Ce1 63.42(5) 10_556 7_666 ?
Ce3 Sb2 Ce1 84.70(4) 7_666 7_666 ?
Ce3 Sb2 Ce1 140.81(7) 7_665 7_666 ?
Sb3 Sb2 Ce1 63.42(5) 10 7_665 ?
Sb3 Sb2 Ce1 118.68(7) 10_556 7_665 ?
Ce3 Sb2 Ce1 140.81(7) 7_666 7_665 ?
Ce3 Sb2 Ce1 84.70(4) 7_665 7_665 ?
Ce1 Sb2 Ce1 81.98(6) 7_666 7_665 ?
Sb3 Sb2 Ce3 61.05(5) 10 . ?
Sb3 Sb2 Ce3 61.05(5) 10_556 . ?
Ce3 Sb2 Ce3 93.28(5) 7_666 . ?
Ce3 Sb2 Ce3 93.28(5) 7_665 . ?
Ce1 Sb2 Ce3 124.46(5) 7_666 . ?
Ce1 Sb2 Ce3 124.46(5) 7_665 . ?
Sb2 Sb3 Sb2 89.97(7) 9_556 9 ?
Sb2 Sb3 Sb4 177.59(7) 9_556 9 ?
Sb2 Sb3 Sb4 91.82(4) 9 9 ?
Sb2 Sb3 Sb4 91.82(4) 9_556 9_556 ?
Sb2 Sb3 Sb4 177.59(7) 9 9_556 ?
Sb4 Sb3 Sb4 86.35(7) 9 9_556 ?
Sb2 Sb3 Ce3 120.17(7) 9_556 9 ?
Sb2 Sb3 Ce3 65.43(5) 9 9 ?
Sb4 Sb3 Ce3 62.10(5) 9 9 ?
Sb4 Sb3 Ce3 114.91(7) 9_556 9 ?
Sb2 Sb3 Ce3 65.43(5) 9_556 9_556 ?
Sb2 Sb3 Ce3 120.17(7) 9 9_556 ?
Sb4 Sb3 Ce3 114.91(7) 9 9_556 ?
Sb4 Sb3 Ce3 62.10(5) 9_556 9_556 ?
Ce3 Sb3 Ce3 81.02(6) 9 9_556 ?
Sb2 Sb3 Ce1 114.92(6) 9_556 . ?
Sb2 Sb3 Ce1 114.92(6) 9 . ?
Sb4 Sb3 Ce1 62.83(5) 9 . ?
Sb4 Sb3 Ce1 62.83(5) 9_556 . ?
Ce3 Sb3 Ce1 124.90(5) 9 . ?
Ce3 Sb3 Ce1 124.90(5) 9_556 . ?
Sb2 Sb3 Ce1 61.76(5) 9_556 3_655 ?
Sb2 Sb3 Ce1 61.76(5) 9 3_655 ?
Sb4 Sb3 Ce1 117.82(6) 9 3_655 ?
Sb4 Sb3 Ce1 117.82(6) 9_556 3_655 ?
Ce3 Sb3 Ce1 127.17(5) 9 3_655 ?
Ce3 Sb3 Ce1 127.17(5) 9_556 3_655 ?
Ce1 Sb3 Ce1 78.55(7) . 3_655 ?
Sb5 Sb4 Sb5 89.25(7) 10 10_556 ?
Sb5 Sb4 Sb3 176.73(8) 10 10_556 ?
Sb5 Sb4 Sb3 92.12(4) 10_556 10_556 ?
Sb5 Sb4 Sb3 92.12(4) 10 10 ?
Sb5 Sb4 Sb3 176.73(8) 10_556 10 ?
Sb3 Sb4 Sb3 86.35(7) 10_556 10 ?
Sb5 Sb4 Ce3 120.26(5) 10 . ?
Sb5 Sb4 Ce3 120.26(5) 10_556 . ?
Sb3 Sb4 Ce3 61.42(5) 10_556 . ?
Sb3 Sb4 Ce3 61.42(5) 10 . ?
Sb5 Sb4 Ce1 116.94(7) 10 10_556 ?
Sb5 Sb4 Ce1 63.75(4) 10_556 10_556 ?
Sb3 Sb4 Ce1 61.22(5) 10_556 10_556 ?
Sb3 Sb4 Ce1 113.00(7) 10 10_556 ?
Ce3 Sb4 Ce1 122.61(5) . 10_556 ?
Sb5 Sb4 Ce1 63.75(4) 10 10 ?
Sb5 Sb4 Ce1 116.94(7) 10_556 10 ?
Sb3 Sb4 Ce1 113.00(7) 10_556 10 ?
Sb3 Sb4 Ce1 61.22(5) 10 10 ?
Ce3 Sb4 Ce1 122.61(5) . 10 ?
Ce1 Sb4 Ce1 79.19(5) 10_556 10 ?
Sb5 Sb4 Ce2 62.48(5) 10 . ?
Sb5 Sb4 Ce2 62.48(5) 10_556 . ?
Sb3 Sb4 Ce2 120.78(6) 10_556 . ?
Sb3 Sb4 Ce2 120.78(5) 10 . ?
Ce3 Sb4 Ce2 85.56(6) . . ?
Ce1 Sb4 Ce2 126.22(5) 10_556 . ?
Ce1 Sb4 Ce2 126.22(5) 10 . ?
Sb4 Sb5 Sb4 89.25(7) 9_556 9 ?
Sb4 Sb5 Sb6 178.65(7) 9_556 9 ?
Sb4 Sb5 Sb6 91.89(4) 9 9 ?
Sb4 Sb5 Sb6 91.89(4) 9_556 9_556 ?
Sb4 Sb5 Sb6 178.65(7) 9 9_556 ?
Sb6 Sb5 Sb6 86.95(7) 9 9_556 ?
Sb4 Sb5 Ce3 117.75(6) 9_556 . ?
Sb4 Sb5 Ce3 117.75(6) 9 . ?
Sb6 Sb5 Ce3 61.05(5) 9 . ?
Sb6 Sb5 Ce3 61.05(5) 9_556 . ?
Sb4 Sb5 Ce2 117.14(7) 9_556 9 ?
Sb4 Sb5 Ce2 63.93(5) 9 9 ?
Sb6 Sb5 Ce2 64.06(5) 9 9 ?
Sb6 Sb5 Ce2 116.09(7) 9_556 9 ?
Ce3 Sb5 Ce2 125.10(5) . 9 ?
Sb4 Sb5 Ce2 63.93(5) 9_556 9_556 ?
Sb4 Sb5 Ce2 117.14(7) 9 9_556 ?
Sb6 Sb5 Ce2 116.09(7) 9 9_556 ?
Sb6 Sb5 Ce2 64.06(5) 9_556 9_556 ?
Ce3 Sb5 Ce2 125.10(5) . 9_556 ?
Ce2 Sb5 Ce2 79.21(5) 9 9_556 ?
Sb4 Sb5 Ce1 62.60(5) 9_556 . ?
Sb4 Sb5 Ce1 62.60(5) 9 . ?
Sb6 Sb5 Ce1 117.36(6) 9 . ?
Sb6 Sb5 Ce1 117.36(6) 9_556 . ?
Ce3 Sb5 Ce1 81.14(6) . . ?
Ce2 Sb5 Ce1 126.53(5) 9 . ?
Ce2 Sb5 Ce1 126.53(5) 9_556 . ?
Sb5 Sb6 Sb5 86.95(7) 10_556 10 ?
Sb5 Sb6 Ce3 62.93(5) 10_556 10_556 ?
Sb5 Sb6 Ce3 116.25(7) 10 10_556 ?
Sb5 Sb6 Ce3 116.25(7) 10_556 10 ?
Sb5 Sb6 Ce3 62.93(5) 10 10 ?
Ce3 Sb6 Ce3 81.39(6) 10_556 10 ?
Sb5 Sb6 Ce2 150.71(8) 10_556 10 ?
Sb5 Sb6 Ce2 89.21(4) 10 10 ?
Ce3 Sb6 Ce2 142.47(8) 10_556 10 ?
Ce3 Sb6 Ce2 87.34(4) 10 10 ?
Sb5 Sb6 Ce2 89.21(4) 10_556 10_556 ?
Sb5 Sb6 Ce2 150.71(8) 10 10_556 ?
Ce3 Sb6 Ce2 87.34(4) 10_556 10_556 ?
Ce3 Sb6 Ce2 142.47(8) 10 10_556 ?
Ce2 Sb6 Ce2 80.14(6) 10 10_556 ?
Sb5 Sb6 Ce2 61.46(5) 10_556 . ?
Sb5 Sb6 Ce2 61.46(5) 10 . ?
Ce3 Sb6 Ce2 124.39(5) 10_556 . ?
Ce3 Sb6 Ce2 124.39(5) 10 . ?
Ce2 Sb6 Ce2 91.37(6) 10 . ?
Ce2 Sb6 Ce2 91.37(6) 10_556 . ?
Ce2 Cl Ce2 95.6(2) 9_556 9 ?
Ce2 Cl Ce2 111.85(17) 9_556 . ?
Ce2 Cl Ce2 111.85(17) 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
Ce1 Sb1 3.2250(12) 7_666 ?
Ce1 Sb1 3.2250(12) 7_665 ?
Ce1 Sb2 3.2573(19) 7_666 ?
Ce1 Sb2 3.2573(19) 7_665 ?
Ce1 Sb3 3.303(2) . ?
Ce1 Sb3 3.307(2) 4_665 ?
Ce1 Sb4 3.3522(19) 9 ?
Ce1 Sb4 3.3522(19) 9_556 ?
Ce1 Sb5 3.386(2) . ?
Ce2 Cl 2.884(5) 10 ?
Ce2 Cl 2.884(5) 10_556 ?
Ce2 Cl 2.947(8) . ?
Ce2 Sb6 3.3186(19) 9_556 ?
Ce2 Sb6 3.3186(19) 9 ?
Ce2 Sb5 3.3512(18) 10_556 ?
Ce2 Sb5 3.3512(18) 10 ?
Ce2 Sb4 3.394(2) . ?
Ce2 Sb6 3.430(3) . ?
Ce3 Sb2 3.2310(18) 7_666 ?
Ce3 Sb2 3.2310(18) 7_665 ?
Ce3 Sb6 3.2764(19) 9 ?
Ce3 Sb6 3.2764(19) 9_556 ?
Ce3 Sb3 3.2888(19) 10_556 ?
Ce3 Sb3 3.2888(19) 10 ?
Ce3 Sb4 3.310(2) . ?
Ce3 Sb5 3.334(2) . ?
Ce3 Sb2 3.418(2) . ?
Sb1 Ce1 3.2249(12) 10 ?
Sb1 Ce1 3.2249(12) 10_556 ?
Sb1 Ce1 3.2249(12) 9_566 ?
Sb1 Ce1 3.2249(12) 9_565 ?
Sb1 Ce1 3.2250(12) 7_666 ?
Sb1 Ce1 3.2250(12) 7_665 ?
Sb2 Sb3 3.0222(19) 10 ?
Sb2 Sb3 3.0222(19) 10_556 ?
Sb2 Ce3 3.2309(18) 7_666 ?
Sb2 Ce3 3.2309(18) 7_665 ?
Sb2 Ce1 3.2572(19) 7_666 ?
Sb2 Ce1 3.2572(19) 7_665 ?
Sb3 Sb2 3.0221(19) 9_556 ?
Sb3 Sb2 3.0221(19) 9 ?
Sb3 Sb4 3.122(2) 9 ?
Sb3 Sb4 3.122(2) 9_556 ?
Sb3 Ce3 3.2888(19) 9 ?
Sb3 Ce3 3.2888(19) 9_556 ?
Sb3 Ce1 3.307(2) 3_655 ?
Sb4 Sb5 3.0413(19) 10 ?
Sb4 Sb5 3.0413(19) 10_556 ?
Sb4 Sb3 3.122(2) 10_556 ?
Sb4 Sb3 3.122(2) 10 ?
Sb4 Ce1 3.3521(19) 10_556 ?
Sb4 Ce1 3.3521(19) 10 ?
Sb5 Sb4 3.0413(19) 9_556 ?
Sb5 Sb4 3.0413(19) 9 ?
Sb5 Sb6 3.105(2) 9 ?
Sb5 Sb6 3.105(2) 9_556 ?
Sb5 Ce2 3.3512(18) 9 ?
Sb5 Ce2 3.3512(18) 9_556 ?
Sb6 Sb5 3.105(2) 10_556 ?
Sb6 Sb5 3.105(2) 10 ?
Sb6 Ce3 3.2764(19) 10_556 ?
Sb6 Ce3 3.2764(19) 10 ?
Sb6 Ce2 3.3187(19) 10 ?
Sb6 Ce2 3.3187(19) 10_556 ?
Cl Ce2 2.884(5) 9_556 ?
Cl Ce2 2.884(5) 9 ?
