#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/84/1508421.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_1508421
loop_
_publ_author_name
'Darone, Gregory M.'
'Bobev, Svilen'
_publ_section_title
;
 Ba5Cd2Sb4O2, A New Antimonide Oxide with a Complex Structure
;
_journal_issue                   3
_journal_name_full               Crystals
_journal_page_first              206
_journal_page_last               214
_journal_paper_doi               10.3390/cryst1030206
_journal_volume                  1
_journal_year                    2012
_chemical_formula_moiety         'Ba5 Cd2 Sb4 O2'
_chemical_formula_sum            'Ba5 Cd2 O2 Sb4'
_chemical_formula_weight         1430.50
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 132.558(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.247(7)
_cell_length_b                   4.9279(18)
_cell_length_c                   12.240(5)
_cell_measurement_reflns_used    1021
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.07
_cell_measurement_theta_min      2.26
_cell_volume                     766.3(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3359
_diffrn_reflns_theta_full        29.15
_diffrn_reflns_theta_max         29.15
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    22.226
_exptl_absorpt_correction_T_max  0.370
_exptl_absorpt_correction_T_min  0.300
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
SADABS (Sheldrick, 2003) 
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.200
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.198
_refine_diff_density_min         -2.176
_refine_diff_density_rms         0.455
_refine_ls_extinction_coef       0.00035(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_matrix_type           full
_refine_ls_number_parameters     42
_refine_ls_number_reflns         1147
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0241
_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)+(0.0223P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0492
_refine_ls_wR_factor_ref         0.0513
_reflns_number_gt                1037
_reflns_number_total             1147
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file
Ba5Cd2Sb4O2_C2_m_crystals-01-00206-s001_DC166.cif
_cod_data_source_block           I_chateigner_1508421
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               1508421
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
Ba1 Ba 0.02659(3) 0.0000 0.70308(5) 0.00999(12) Uani 1 2 d S
Ba2 Ba 0.29970(3) 0.0000 0.64996(5) 0.01448(12) Uani 1 2 d S
Ba3 Ba 0.0000 0.0000 0.0000 0.01821(17) Uani 1 4 d S
Cd1 Cd 0.26114(4) 0.0000 0.12247(6) 0.01136(14) Uani 1 2 d S
Sb1 Sb 0.36548(3) 0.0000 0.01038(5) 0.00958(12) Uani 1 2 d S
Sb2 Sb 0.39272(4) 0.0000 0.43332(5) 0.00975(13) Uani 1 2 d S
O1 O 0.1297(4) 0.0000 0.3132(7) 0.0182(12) 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
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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'
Ba Ba -0.3244 2.2819 '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
O1 Ba1 Sb2 86.44(10) 5_556 3_445
O1 Ba1 Sb2 86.44(10) 5_556 3_455
Sb2 Ba1 Sb2 90.72(3) 3_445 3_455
O1 Ba1 Sb1 84.24(10) 5_556 7_556
Sb2 Ba1 Sb1 170.452(18) 3_445 7_556
Sb2 Ba1 Sb1 90.80(3) 3_455 7_556
O1 Ba1 Sb1 84.24(10) 5_556 7_546
Sb2 Ba1 Sb1 90.80(3) 3_445 7_546
Sb2 Ba1 Sb1 170.452(18) 3_455 7_546
Sb1 Ba1 Sb1 86.19(3) 7_556 7_546
O1 Ba1 Cd1 128.89(7) 5_556 7_556
Sb2 Ba1 Cd1 142.389(19) 3_445 7_556
Sb2 Ba1 Cd1 80.59(2) 3_455 7_556
Sb1 Ba1 Cd1 47.122(15) 7_556 7_556
Sb1 Ba1 Cd1 103.73(2) 7_546 7_556
O1 Ba1 Cd1 128.89(7) 5_556 7_546
Sb2 Ba1 Cd1 80.59(2) 3_445 7_546
Sb2 Ba1 Cd1 142.389(19) 3_455 7_546
Sb1 Ba1 Cd1 103.73(2) 7_556 7_546
Sb1 Ba1 Cd1 47.122(15) 7_546 7_546
Cd1 Ba1 Cd1 84.38(3) 7_556 7_546
O1 Ba1 Sb2 130.94(7) 5_556 7_546
Sb2 Ba1 Sb2 46.67(3) 3_445 7_546
Sb2 Ba1 Sb2 104.66(3) 3_455 7_546
Sb1 Ba1 Sb2 141.48(2) 7_556 7_546
Sb1 Ba1 Sb2 83.14(3) 7_546 7_546
Cd1 Ba1 Sb2 100.16(3) 7_556 7_546
Cd1 Ba1 Sb2 44.76(2) 7_546 7_546
O1 Ba1 Sb2 130.94(7) 5_556 7_556
Sb2 Ba1 Sb2 104.66(3) 3_445 7_556
Sb2 Ba1 Sb2 46.67(3) 3_455 7_556
Sb1 Ba1 Sb2 83.14(3) 7_556 7_556
Sb1 Ba1 Sb2 141.48(2) 7_546 7_556
Cd1 Ba1 Sb2 44.76(2) 7_556 7_556
Cd1 Ba1 Sb2 100.16(3) 7_546 7_556
Sb2 Ba1 Sb2 82.60(3) 7_546 7_556
O1 Ba1 Cd1 101.91(14) 5_556 1_556
Sb2 Ba1 Cd1 134.240(16) 3_445 1_556
Sb2 Ba1 Cd1 134.240(16) 3_455 1_556
Sb1 Ba1 Cd1 46.605(18) 7_556 1_556
Sb1 Ba1 Cd1 46.605(18) 7_546 1_556
Cd1 Ba1 Cd1 59.036(17) 7_556 1_556
Cd1 Ba1 Cd1 59.036(17) 7_546 1_556
Sb2 Ba1 Cd1 102.97(3) 7_546 1_556
Sb2 Ba1 Cd1 102.97(3) 7_556 1_556
O1 Ba1 Ba3 45.83(13) 5_556 1_556
Sb2 Ba1 Ba3 117.31(3) 3_445 1_556
Sb2 Ba1 Ba3 117.31(3) 3_455 1_556
Sb1 Ba1 Ba3 53.94(2) 7_556 1_556
Sb1 Ba1 Ba3 53.94(2) 7_546 1_556
Cd1 Ba1 Ba3 98.93(2) 7_556 1_556
Cd1 Ba1 Ba3 98.93(2) 7_546 1_556
Sb2 Ba1 Ba3 136.070(15) 7_546 1_556
Sb2 Ba1 Ba3 136.070(14) 7_556 1_556
Cd1 Ba1 Ba3 56.08(4) 1_556 1_556
O1 Ba1 Ba2 46.36(14) 5_556 5_556
Sb2 Ba1 Ba2 56.678(14) 3_445 5_556
Sb2 Ba1 Ba2 56.678(14) 3_455 5_556
Sb1 Ba1 Ba2 117.014(17) 7_556 5_556
Sb1 Ba1 Ba2 117.014(17) 7_546 5_556
Cd1 Ba1 Ba2 135.890(18) 7_556 5_556
Cd1 Ba1 Ba2 135.890(18) 7_546 5_556
Sb2 Ba1 Ba2 100.74(3) 7_546 5_556
Sb2 Ba1 Ba2 100.74(3) 7_556 5_556
Cd1 Ba1 Ba2 148.267(16) 1_556 5_556
Ba3 Ba1 Ba2 92.19(3) 1_556 5_556
O1 Ba2 O1 137.0(2) 7_556 7_546
O1 Ba2 O1 98.14(13) 7_556 .
O1 Ba2 O1 98.14(13) 7_546 .
O1 Ba2 Sb2 153.46(10) 7_556 7_546
O1 Ba2 Sb2 69.46(10) 7_546 7_546
O1 Ba2 Sb2 76.25(7) . 7_546
O1 Ba2 Sb2 69.46(10) 7_556 7_556
O1 Ba2 Sb2 153.46(10) 7_546 7_556
O1 Ba2 Sb2 76.25(7) . 7_556
Sb2 Ba2 Sb2 84.04(4) 7_546 7_556
O1 Ba2 Ba2 129.27(13) 7_556 7_546
O1 Ba2 Ba2 53.60(13) 7_546 7_546
O1 Ba2 Ba2 44.54(4) . 7_546
Sb2 Ba2 Ba2 63.772(19) 7_546 7_546
Sb2 Ba2 Ba2 116.14(2) 7_556 7_546
O1 Ba2 Ba2 53.60(13) 7_556 7_556
O1 Ba2 Ba2 129.27(13) 7_546 7_556
O1 Ba2 Ba2 44.54(4) . 7_556
Sb2 Ba2 Ba2 116.14(2) 7_546 7_556
Sb2 Ba2 Ba2 63.772(19) 7_556 7_556
Ba2 Ba2 Ba2 82.47(4) 7_546 7_556
O1 Ba2 Sb1 93.53(13) 7_556 1_556
O1 Ba2 Sb1 93.53(13) 7_546 1_556
O1 Ba2 Sb1 147.63(10) . 1_556
Sb2 Ba2 Sb1 79.864(14) 7_546 1_556
Sb2 Ba2 Sb1 79.864(13) 7_556 1_556
Ba2 Ba2 Sb1 136.92(2) 7_546 1_556
Ba2 Ba2 Sb1 136.92(2) 7_556 1_556
O1 Ba2 Sb2 76.33(12) 7_556 .
O1 Ba2 Sb2 76.33(12) 7_546 .
O1 Ba2 Sb2 62.83(10) . .
Sb2 Ba2 Sb2 121.17(2) 7_546 .
Sb2 Ba2 Sb2 121.17(2) 7_556 .
Ba2 Ba2 Sb2 57.40(3) 7_546 .
Ba2 Ba2 Sb2 57.40(3) 7_556 .
Sb1 Ba2 Sb2 149.54(2) 1_556 .
O1 Ba2 Ba3 44.57(13) 7_556 3_556
O1 Ba2 Ba3 114.94(12) 7_546 3_556
O1 Ba2 Ba3 141.85(2) . 3_556
Sb2 Ba2 Ba3 131.74(2) 7_546 3_556
Sb2 Ba2 Ba3 81.35(3) 7_556 3_556
Ba2 Ba2 Ba3 159.75(2) 7_546 3_556
Ba2 Ba2 Ba3 97.74(3) 7_556 3_556
Sb1 Ba2 Ba3 52.38(2) 1_556 3_556
Sb2 Ba2 Ba3 105.64(3) . 3_556
O1 Ba2 Ba3 114.94(12) 7_556 3_546
O1 Ba2 Ba3 44.57(13) 7_546 3_546
O1 Ba2 Ba3 141.85(2) . 3_546
Sb2 Ba2 Ba3 81.35(3) 7_546 3_546
Sb2 Ba2 Ba3 131.74(2) 7_556 3_546
Ba2 Ba2 Ba3 97.74(3) 7_546 3_546
Ba2 Ba2 Ba3 159.75(2) 7_556 3_546
Sb1 Ba2 Ba3 52.38(2) 1_556 3_546
Sb2 Ba2 Ba3 105.64(3) . 3_546
Ba3 Ba2 Ba3 75.11(3) 3_556 3_546
O1 Ba2 Ba1 108.59(11) 7_556 5_556
O1 Ba2 Ba1 108.59(11) 7_546 5_556
O1 Ba2 Ba1 37.63(10) . 5_556
Sb2 Ba2 Ba1 51.83(2) 7_546 5_556
Sb2 Ba2 Ba1 51.83(2) 7_556 5_556
Ba2 Ba2 Ba1 65.287(19) 7_546 5_556
Ba2 Ba2 Ba1 65.287(19) 7_556 5_556
Sb1 Ba2 Ba1 110.00(3) 1_556 5_556
Sb2 Ba2 Ba1 100.47(4) . 5_556
Ba3 Ba2 Ba1 133.166(13) 3_556 5_556
Ba3 Ba2 Ba1 133.166(13) 3_546 5_556
O1 Ba3 O1 180.000(1) . 5
O1 Ba3 Sb1 96.57(7) . 7
O1 Ba3 Sb1 83.43(7) 5 7
O1 Ba3 Sb1 83.43(7) . 3_445
O1 Ba3 Sb1 96.57(7) 5 3_445
Sb1 Ba3 Sb1 180.000(18) 7 3_445
O1 Ba3 Sb1 96.57(7) . 7_545
O1 Ba3 Sb1 83.43(7) 5 7_545
Sb1 Ba3 Sb1 91.32(3) 7 7_545
Sb1 Ba3 Sb1 88.68(3) 3_445 7_545
O1 Ba3 Sb1 83.43(7) . 3_455
O1 Ba3 Sb1 96.57(7) 5 3_455
Sb1 Ba3 Sb1 88.68(3) 7 3_455
Sb1 Ba3 Sb1 91.32(3) 3_445 3_455
Sb1 Ba3 Sb1 180.000(14) 7_545 3_455
O1 Ba3 Cd1 79.63(10) . .
O1 Ba3 Cd1 100.37(10) 5 .
Sb1 Ba3 Cd1 48.878(17) 7 .
Sb1 Ba3 Cd1 131.122(17) 3_445 .
Sb1 Ba3 Cd1 48.878(17) 7_545 .
Sb1 Ba3 Cd1 131.122(17) 3_455 .
O1 Ba3 Cd1 100.37(10) . 5
O1 Ba3 Cd1 79.63(10) 5 5
Sb1 Ba3 Cd1 131.123(17) 7 5
Sb1 Ba3 Cd1 48.877(17) 3_445 5
Sb1 Ba3 Cd1 131.123(17) 7_545 5
Sb1 Ba3 Cd1 48.877(17) 3_455 5
Cd1 Ba3 Cd1 180.0 . 5
O1 Ba3 Ba1 139.74(10) . 1_554
O1 Ba3 Ba1 40.26(10) 5 1_554
Sb1 Ba3 Ba1 57.799(12) 7 1_554
Sb1 Ba3 Ba1 122.201(12) 3_445 1_554
Sb1 Ba3 Ba1 57.799(13) 7_545 1_554
Sb1 Ba3 Ba1 122.201(13) 3_455 1_554
Cd1 Ba3 Ba1 60.103(17) . 1_554
Cd1 Ba3 Ba1 119.897(18) 5 1_554
O1 Ba3 Ba1 40.26(10) . 5_556
O1 Ba3 Ba1 139.74(10) 5 5_556
Sb1 Ba3 Ba1 122.201(12) 7 5_556
Sb1 Ba3 Ba1 57.799(12) 3_445 5_556
Sb1 Ba3 Ba1 122.201(13) 7_545 5_556
Sb1 Ba3 Ba1 57.799(13) 3_455 5_556
Cd1 Ba3 Ba1 119.897(17) . 5_556
Cd1 Ba3 Ba1 60.103(18) 5 5_556
Ba1 Ba3 Ba1 180.000(11) 1_554 5_556
O1 Ba3 Ba2 40.77(4) . 7_556
O1 Ba3 Ba2 139.23(4) 5 7_556
Sb1 Ba3 Ba2 59.27(3) 7 7_556
Sb1 Ba3 Ba2 120.73(3) 3_445 7_556
Sb1 Ba3 Ba2 111.16(3) 7_545 7_556
Sb1 Ba3 Ba2 68.84(3) 3_455 7_556
Cd1 Ba3 Ba2 68.478(18) . 7_556
Cd1 Ba3 Ba2 111.521(18) 5 7_556
Ba1 Ba3 Ba2 115.24(3) 1_554 7_556
Ba1 Ba3 Ba2 64.76(3) 5_556 7_556
O1 Ba3 Ba2 139.23(4) . 3_444
O1 Ba3 Ba2 40.77(4) 5 3_444
Sb1 Ba3 Ba2 120.73(3) 7 3_444
Sb1 Ba3 Ba2 59.27(3) 3_445 3_444
Sb1 Ba3 Ba2 68.84(3) 7_545 3_444
Sb1 Ba3 Ba2 111.16(3) 3_455 3_444
Cd1 Ba3 Ba2 111.522(18) . 3_444
Cd1 Ba3 Ba2 68.479(18) 5 3_444
Ba1 Ba3 Ba2 64.76(3) 1_554 3_444
Ba1 Ba3 Ba2 115.24(3) 5_556 3_444
Ba2 Ba3 Ba2 180.000(15) 7_556 3_444
Sb2 Cd1 Sb1 116.52(4) . .
Sb2 Cd1 Sb1 111.377(17) . 7_545
Sb1 Cd1 Sb1 101.76(3) . 7_545
Sb2 Cd1 Sb1 111.377(17) . 7
Sb1 Cd1 Sb1 101.76(3) . 7
Sb1 Cd1 Sb1 113.50(4) 7_545 7
Sb2 Cd1 Ba3 101.37(2) . .
Sb1 Cd1 Ba3 142.11(3) . .
Sb1 Cd1 Ba3 61.744(19) 7_545 .
Sb1 Cd1 Ba3 61.744(19) 7 .
Sb2 Cd1 Ba1 68.835(15) . 7_556
Sb1 Cd1 Ba1 65.31(3) . 7_556
Sb1 Cd1 Ba1 163.388(18) 7_545 7_556
Sb1 Cd1 Ba1 80.50(3) 7 7_556
Ba3 Cd1 Ba1 134.866(19) . 7_556
Sb2 Cd1 Ba1 68.835(15) . 7_546
Sb1 Cd1 Ba1 65.31(3) . 7_546
Sb1 Cd1 Ba1 80.50(3) 7_545 7_546
Sb1 Cd1 Ba1 163.388(18) 7 7_546
Ba3 Cd1 Ba1 134.866(19) . 7_546
Ba1 Cd1 Ba1 84.38(3) 7_556 7_546
Sb2 Cd1 Ba1 165.19(2) . 1_554
Sb1 Cd1 Ba1 78.29(4) . 1_554
Sb1 Cd1 Ba1 62.799(16) 7_545 1_554
Sb1 Cd1 Ba1 62.799(16) 7 1_554
Ba3 Cd1 Ba1 63.82(2) . 1_554
Ba1 Cd1 Ba1 120.962(17) 7_556 1_554
Ba1 Cd1 Ba1 120.962(17) 7_546 1_554
Cd1 Sb1 Cd1 78.24(3) . 7_545
Cd1 Sb1 Cd1 78.24(3) . 7
Cd1 Sb1 Cd1 113.50(3) 7_545 7
Cd1 Sb1 Ba3 131.631(16) . 3
Cd1 Sb1 Ba3 147.57(2) 7_545 3
Cd1 Sb1 Ba3 69.38(3) 7 3
Cd1 Sb1 Ba3 131.631(16) . 3_545
Cd1 Sb1 Ba3 69.38(3) 7_545 3_545
Cd1 Sb1 Ba3 147.57(2) 7 3_545
Ba3 Sb1 Ba3 91.32(3) 3 3_545
Cd1 Sb1 Ba1 67.57(3) . 7_556
Cd1 Sb1 Ba1 144.14(2) 7_545 7_556
Cd1 Sb1 Ba1 70.59(2) 7 7_556
Ba3 Sb1 Ba1 68.27(2) 3 7_556
Ba3 Sb1 Ba1 127.37(2) 3_545 7_556
Cd1 Sb1 Ba1 67.57(3) . 7_546
Cd1 Sb1 Ba1 70.59(3) 7_545 7_546
Cd1 Sb1 Ba1 144.14(2) 7 7_546
Ba3 Sb1 Ba1 127.37(2) 3 7_546
Ba3 Sb1 Ba1 68.27(2) 3_545 7_546
Ba1 Sb1 Ba1 86.19(4) 7_556 7_546
Cd1 Sb1 Ba2 139.97(2) . 1_554
Cd1 Sb1 Ba2 80.134(19) 7_545 1_554
Cd1 Sb1 Ba2 80.134(18) 7 1_554
Ba3 Sb1 Ba2 68.345(11) 3 1_554
Ba3 Sb1 Ba2 68.345(11) 3_545 1_554
Ba1 Sb1 Ba2 133.838(19) 7_556 1_554
Ba1 Sb1 Ba2 133.838(19) 7_546 1_554
Cd1 Sb2 Sb2 108.66(3) . 5_656
Cd1 Sb2 Ba1 134.097(17) . 3
Sb2 Sb2 Ba1 71.642(17) 5_656 3
Cd1 Sb2 Ba1 134.097(17) . 3_545
Sb2 Sb2 Ba1 71.642(16) 5_656 3_545
Ba1 Sb2 Ba1 90.72(3) 3 3_545
Cd1 Sb2 Ba2 82.773(19) . 7_546
Sb2 Sb2 Ba2 137.216(19) 5_656 7_546
Ba1 Sb2 Ba2 129.43(2) 3 7_546
Ba1 Sb2 Ba2 71.49(2) 3_545 7_546
Cd1 Sb2 Ba2 82.773(19) . 7_556
Sb2 Sb2 Ba2 137.216(19) 5_656 7_556
Ba1 Sb2 Ba2 71.49(2) 3 7_556
Ba1 Sb2 Ba2 129.43(2) 3_545 7_556
Ba2 Sb2 Ba2 84.04(4) 7_546 7_556
Cd1 Sb2 Ba1 66.41(3) . 7_546
Sb2 Sb2 Ba1 61.68(2) 5_656 7_546
Ba1 Sb2 Ba1 133.33(3) 3 7_546
Ba1 Sb2 Ba1 75.34(3) 3_545 7_546
Ba2 Sb2 Ba1 88.47(3) 7_546 7_546
Ba2 Sb2 Ba1 148.98(2) 7_556 7_546
Cd1 Sb2 Ba1 66.41(3) . 7_556
Sb2 Sb2 Ba1 61.68(2) 5_656 7_556
Ba1 Sb2 Ba1 75.34(3) 3 7_556
Ba1 Sb2 Ba1 133.33(3) 3_545 7_556
Ba2 Sb2 Ba1 148.98(2) 7_546 7_556
Ba2 Sb2 Ba1 88.47(3) 7_556 7_556
Ba1 Sb2 Ba1 82.60(3) 7_546 7_556
Cd1 Sb2 Ba2 126.08(4) . .
Sb2 Sb2 Ba2 125.26(3) 5_656 .
Ba1 Sb2 Ba2 70.67(3) 3 .
Ba1 Sb2 Ba2 70.67(3) 3_545 .
Ba2 Sb2 Ba2 58.83(2) 7_546 .
Ba2 Sb2 Ba2 58.83(2) 7_556 .
Ba1 Sb2 Ba2 138.552(15) 7_546 .
Ba1 Sb2 Ba2 138.552(15) 7_556 .
Ba1 O1 Ba2 110.57(11) 5_556 7_556
Ba1 O1 Ba2 110.57(11) 5_556 7_546
Ba2 O1 Ba2 137.0(2) 7_556 7_546
Ba1 O1 Ba3 93.91(17) 5_556 .
Ba2 O1 Ba3 94.66(14) 7_556 .
Ba2 O1 Ba3 94.66(14) 7_546 .
Ba1 O1 Ba2 96.01(18) 5_556 .
Ba2 O1 Ba2 81.86(13) 7_556 .
Ba2 O1 Ba2 81.86(13) 7_546 .
Ba3 O1 Ba2 170.1(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba1 O1 2.565(5) 5_556
Ba1 Sb2 3.4629(10) 3_445
Ba1 Sb2 3.4629(10) 3_455
Ba1 Sb1 3.6063(11) 7_556
Ba1 Sb1 3.6063(11) 7_546
Ba1 Cd1 3.6688(11) 7_556
Ba1 Cd1 3.6688(11) 7_546
Ba1 Sb2 3.7334(10) 7_546
Ba1 Sb2 3.7334(10) 7_556
Ba1 Cd1 3.8244(14) 1_556
Ba1 Ba3 3.9589(14) 1_556
Ba2 O1 2.649(2) 7_556
Ba2 O1 2.649(2) 7_546
Ba2 O1 3.040(6) .
Ba2 Sb2 3.6807(12) 7_546
Ba2 Sb2 3.6807(12) 7_556
Ba2 Ba2 3.7382(13) 7_546
Ba2 Ba2 3.7382(13) 7_556
Ba2 Sb1 3.7388(18) 1_556
Ba2 Sb2 3.9192(13) .
Ba3 O1 2.846(6) .
Ba3 O1 2.846(6) 5
Ba3 Sb1 3.4451(9) 7
Ba3 Sb1 3.4451(9) 3_445
Ba3 Sb1 3.4451(9) 7_545
Ba3 Sb1 3.4451(9) 3_455
Ba3 Cd1 3.6606(17) .
Ba3 Cd1 3.6606(17) 5
Ba3 Ba1 3.9589(14) 1_554
Ba3 Ba1 3.9589(14) 5_556
Cd1 Sb2 2.8190(13) .
Cd1 Sb1 2.9087(10) .
Cd1 Sb1 2.9463(9) 7_545
Cd1 Sb1 2.9463(9) 7
Cd1 Ba1 3.6688(11) 7_556
Cd1 Ba1 3.6688(11) 7_546
Cd1 Ba1 3.8244(14) 1_554
Sb1 Cd1 2.9463(9) 7_545
Sb1 Cd1 2.9463(9) 7
Sb1 Ba3 3.4451(9) 3
Sb1 Ba3 3.4451(9) 3_545
Sb1 Ba1 3.6063(11) 7_556
Sb1 Ba1 3.6063(11) 7_546
Sb1 Ba2 3.7387(18) 1_554
Sb2 Sb2 2.8615(16) 5_656
Sb2 Ba1 3.4630(10) 3
Sb2 Ba1 3.4630(10) 3_545
Sb2 Ba2 3.6807(12) 7_546
Sb2 Ba2 3.6807(12) 7_556
Sb2 Ba1 3.7334(10) 7_546
Sb2 Ba1 3.7334(10) 7_556
O1 Ba1 2.565(5) 5_556
O1 Ba2 2.649(2) 7_556
O1 Ba2 2.649(2) 7_546
