#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:01:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179947 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/42/7024288.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_7024288
loop_
_publ_author_name
'Saparov, Bayrammurad'
'He, Hua'
'Zhang, Xiaohang'
'Greene, Richard'
'Bobev, Svilen'
_publ_section_title
;
 Synthesis, crystallographic and theoretical studies of the new Zintl
 phases Ba2Cd2Pn3 (Pn = As, Sb), and the solid solutions
 (Ba(1-x)Sr(x))2Cd2Sb3 and Ba2Cd2(Sb(1-x)As(x))3.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1063
_journal_page_last               1070
_journal_paper_doi               10.1039/b914305j
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'Cd2 Sb3, 2(Ba)'
_chemical_formula_sum            'Ba2 Cd2 Sb3'
_chemical_formula_weight         864.73
_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                 126.747(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.072(4)
_cell_length_b                   4.8238(10)
_cell_length_c                   13.403(3)
_cell_measurement_reflns_used    1303
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      1.90
_cell_volume                     936.2(4)
_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      170(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0274
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5324
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    21.157
_exptl_absorpt_correction_T_max  0.7020
_exptl_absorpt_correction_T_min  0.4059
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Sheldrick, 2003)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.135
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1444
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.186
_refine_diff_density_min         -1.678
_refine_diff_density_rms         0.393
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_matrix_type           full
_refine_ls_number_parameters     43
_refine_ls_number_reflns         1303
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0265
_refine_ls_R_factor_gt           0.0232
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0234P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0517
_refine_ls_wR_factor_ref         0.0533
_reflns_number_gt                1189
_reflns_number_total             1303
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b914305j.txt
_cod_data_source_block           Ba2Cd2Sb3
_cod_original_cell_volume        936.2(3)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7024288
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 0.26447(3) 0.0000 0.66315(4) 0.00971(11) Uani 1 2 d S
Ba2 Ba 0.39784(3) 0.0000 0.05511(4) 0.01067(11) Uani 1 2 d S
Cd1 Cd 0.04105(4) 0.0000 0.31104(5) 0.01182(13) Uani 1 2 d S
Cd2 Cd 0.40899(4) 0.0000 0.34633(5) 0.01253(13) Uani 1 2 d S
Sb1 Sb 0.08039(4) 0.0000 0.12521(5) 0.01006(12) Uani 1 2 d S
Sb2 Sb 0.15526(4) 0.0000 0.80402(5) 0.00988(12) Uani 1 2 d S
Sb3 Sb 0.38686(4) 0.0000 0.54197(4) 0.00913(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
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
Sb3 Ba1 Sb3 92.92(2) . 7_546
Sb3 Ba1 Sb3 92.92(2) . 7_556
Sb3 Ba1 Sb3 88.92(2) 7_546 7_556
Sb3 Ba1 Sb2 176.245(19) . .
Sb3 Ba1 Sb2 89.76(2) 7_546 .
Sb3 Ba1 Sb2 89.76(2) 7_556 .
Sb3 Ba1 Sb1 87.31(2) . 7_556
Sb3 Ba1 Sb1 179.153(15) 7_546 7_556
Sb3 Ba1 Sb1 91.886(17) 7_556 7_556
Sb2 Ba1 Sb1 89.98(2) . 7_556
Sb3 Ba1 Sb1 87.31(2) . 7_546
Sb3 Ba1 Sb1 91.886(17) 7_546 7_546
Sb3 Ba1 Sb1 179.153(15) 7_556 7_546
Sb2 Ba1 Sb1 89.98(2) . 7_546
Sb1 Ba1 Sb1 87.31(2) 7_556 7_546
Sb3 Ba1 Cd2 135.784(13) . 7_546
Sb3 Ba1 Cd2 45.678(16) 7_546 7_546
Sb3 Ba1 Cd2 99.69(2) 7_556 7_546
Sb2 Ba1 Cd2 46.041(12) . 7_546
Sb1 Ba1 Cd2 133.860(19) 7_556 7_546
Sb1 Ba1 Cd2 80.697(19) 7_546 7_546
Sb3 Ba1 Cd2 135.784(13) . 7_556
Sb3 Ba1 Cd2 99.69(2) 7_546 7_556
Sb3 Ba1 Cd2 45.678(16) 7_556 7_556
Sb2 Ba1 Cd2 46.041(12) . 7_556
Sb1 Ba1 Cd2 80.697(19) 7_556 7_556
Sb1 Ba1 Cd2 133.86(2) 7_546 7_556
Cd2 Ba1 Cd2 76.48(2) 7_546 7_556
Sb3 Ba1 Cd1 85.56(3) . .
Sb3 Ba1 Cd1 45.101(11) 7_546 .
Sb3 Ba1 Cd1 45.101(11) 7_556 .
Sb2 Ba1 Cd1 98.19(3) . .
Sb1 Ba1 Cd1 135.741(11) 7_556 .
Sb1 Ba1 Cd1 135.741(11) 7_546 .
Cd2 Ba1 Cd1 74.644(18) 7_546 .
Cd2 Ba1 Cd1 74.644(19) 7_556 .
Sb3 Ba1 Cd1 43.892(12) . 7_556
Sb3 Ba1 Cd1 135.241(19) 7_546 7_556
Sb3 Ba1 Cd1 83.490(19) 7_556 7_556
Sb2 Ba1 Cd1 134.029(14) . 7_556
Sb1 Ba1 Cd1 45.166(15) 7_556 7_556
Sb1 Ba1 Cd1 96.11(2) 7_546 7_556
Cd2 Ba1 Cd1 176.793(14) 7_546 7_556
Cd2 Ba1 Cd1 105.708(18) 7_556 7_556
Cd1 Ba1 Cd1 108.103(18) . 7_556
Sb3 Ba1 Cd1 43.892(12) . 7_546
Sb3 Ba1 Cd1 83.490(19) 7_546 7_546
Sb3 Ba1 Cd1 135.241(19) 7_556 7_546
Sb2 Ba1 Cd1 134.029(14) . 7_546
Sb1 Ba1 Cd1 96.11(2) 7_556 7_546
Sb1 Ba1 Cd1 45.166(15) 7_546 7_546
Cd2 Ba1 Cd1 105.708(18) 7_546 7_546
Cd2 Ba1 Cd1 176.793(14) 7_556 7_546
Cd1 Ba1 Cd1 108.103(18) . 7_546
Cd1 Ba1 Cd1 72.01(2) 7_556 7_546
Sb3 Ba1 Ba2 122.11(2) . 1_556
Sb3 Ba1 Ba2 125.167(13) 7_546 1_556
Sb3 Ba1 Ba2 125.167(13) 7_556 1_556
Sb2 Ba1 Ba2 54.133(18) . 1_556
Sb1 Ba1 Ba2 54.087(12) 7_556 1_556
Sb1 Ba1 Ba2 54.087(12) 7_546 1_556
Cd2 Ba1 Ba2 83.748(14) 7_546 1_556
Cd2 Ba1 Ba2 83.748(14) 7_556 1_556
Cd1 Ba1 Ba2 152.325(17) . 1_556
Cd1 Ba1 Ba2 94.114(14) 7_556 1_556
Cd1 Ba1 Ba2 94.114(14) 7_546 1_556
Sb2 Ba2 Sb2 86.16(2) 7_556 7_546
Sb2 Ba2 Sb2 86.05(2) 7_556 1_554
Sb2 Ba2 Sb2 86.054(19) 7_546 1_554
Sb2 Ba2 Sb1 172.162(19) 7_556 7_545
Sb2 Ba2 Sb1 94.312(17) 7_546 7_545
Sb2 Ba2 Sb1 86.173(19) 1_554 7_545
Sb2 Ba2 Sb1 94.312(17) 7_556 7
Sb2 Ba2 Sb1 172.162(19) 7_546 7
Sb2 Ba2 Sb1 86.173(19) 1_554 7
Sb1 Ba2 Sb1 84.16(2) 7_545 7
Sb2 Ba2 Cd1 47.270(18) 7_556 3
Sb2 Ba2 Cd1 102.29(2) 7_546 3
Sb2 Ba2 Cd1 130.867(13) 1_554 3
Sb1 Ba2 Cd1 139.77(2) 7_545 3
Sb1 Ba2 Cd1 83.61(2) 7 3
Sb2 Ba2 Cd1 102.29(2) 7_556 3_545
Sb2 Ba2 Cd1 47.270(18) 7_546 3_545
Sb2 Ba2 Cd1 130.867(13) 1_554 3_545
Sb1 Ba2 Cd1 83.61(2) 7_545 3_545
Sb1 Ba2 Cd1 139.77(2) 7 3_545
Cd1 Ba2 Cd1 81.48(2) 3 3_545
Sb2 Ba2 Sb1 84.598(17) 7_556 3
Sb2 Ba2 Sb1 142.218(19) 7_546 3
Sb2 Ba2 Sb1 129.562(16) 1_554 3
Sb1 Ba2 Sb1 99.623(17) 7_545 3
Sb1 Ba2 Sb1 45.513(17) 7 3
Cd1 Ba2 Sb1 47.202(14) 3 3
Cd1 Ba2 Sb1 99.54(2) 3_545 3
Sb2 Ba2 Sb1 142.218(19) 7_556 3_545
Sb2 Ba2 Sb1 84.598(17) 7_546 3_545
Sb2 Ba2 Sb1 129.561(15) 1_554 3_545
Sb1 Ba2 Sb1 45.513(17) 7_545 3_545
Sb1 Ba2 Sb1 99.623(17) 7 3_545
Cd1 Ba2 Sb1 99.539(19) 3 3_545
Cd1 Ba2 Sb1 47.202(14) 3_545 3_545
Sb1 Ba2 Sb1 80.71(2) 3 3_545
Sb2 Ba2 Cd2 46.584(11) 7_556 .
Sb2 Ba2 Cd2 46.584(11) 7_546 .
Sb2 Ba2 Cd2 104.38(2) 1_554 .
Sb1 Ba2 Cd2 137.104(11) 7_545 .
Sb1 Ba2 Cd2 137.104(11) 7 .
Cd1 Ba2 Cd2 57.816(16) 3 .
Cd1 Ba2 Cd2 57.816(16) 3_545 .
Sb1 Ba2 Cd2 104.307(15) 3 .
Sb1 Ba2 Cd2 104.307(15) 3_545 .
Sb2 Ba2 Ba1 121.568(15) 7_556 1_554
Sb2 Ba2 Ba1 121.568(16) 7_546 1_554
Sb2 Ba2 Ba1 51.191(13) 1_554 1_554
Sb1 Ba2 Ba1 51.842(13) 7_545 1_554
Sb1 Ba2 Ba1 51.843(14) 7 1_554
Cd1 Ba2 Ba1 135.058(12) 3 1_554
Cd1 Ba2 Ba1 135.058(12) 3_545 1_554
Sb1 Ba2 Ba1 94.193(13) 3 1_554
Sb1 Ba2 Ba1 94.193(13) 3_545 1_554
Cd2 Ba2 Ba1 155.573(19) . 1_554
Sb2 Ba2 Ba2 132.846(12) 7_556 5_655
Sb2 Ba2 Ba2 132.846(12) 7_546 5_655
Sb2 Ba2 Ba2 116.81(3) 1_554 5_655
Sb1 Ba2 Ba2 50.979(11) 7_545 5_655
Sb1 Ba2 Ba2 50.979(11) 7 5_655
Cd1 Ba2 Ba2 92.63(2) 3 5_655
Cd1 Ba2 Ba2 92.63(2) 3_545 5_655
Sb1 Ba2 Ba2 48.644(13) 3 5_655
Sb1 Ba2 Ba2 48.644(13) 3_545 5_655
Cd2 Ba2 Ba2 138.80(2) . 5_655
Ba1 Ba2 Ba2 65.622(18) 1_554 5_655
Sb3 Cd1 Sb3 113.43(3) 7_556 7_546
Sb3 Cd1 Sb2 105.781(18) 7_556 5_556
Sb3 Cd1 Sb2 105.781(18) 7_546 5_556
Sb3 Cd1 Sb1 109.61(2) 7_556 .
Sb3 Cd1 Sb1 109.61(2) 7_546 .
Sb2 Cd1 Sb1 112.59(3) 5_556 .
Sb3 Cd1 Ba2 163.470(18) 7_556 3_445
Sb3 Cd1 Ba2 82.392(18) 7_546 3_445
Sb2 Cd1 Ba2 63.386(14) 5_556 3_445
Sb1 Cd1 Ba2 66.91(2) . 3_445
Sb3 Cd1 Ba2 82.392(18) 7_556 3_455
Sb3 Cd1 Ba2 163.470(18) 7_546 3_455
Sb2 Cd1 Ba2 63.386(14) 5_556 3_455
Sb1 Cd1 Ba2 66.91(2) . 3_455
Ba2 Cd1 Ba2 81.47(2) 3_445 3_455
Sb3 Cd1 Ba1 57.717(15) 7_556 .
Sb3 Cd1 Ba1 57.717(14) 7_546 .
Sb2 Cd1 Ba1 133.01(2) 5_556 .
Sb1 Cd1 Ba1 114.40(3) . .
Ba2 Cd1 Ba1 138.802(11) 3_445 .
Ba2 Cd1 Ba1 138.802(11) 3_455 .
Sb3 Cd1 Ba1 55.735(16) 7_556 7_556
Sb3 Cd1 Ba1 114.82(2) 7_546 7_556
Sb2 Cd1 Ba1 139.301(14) 5_556 7_556
Sb1 Cd1 Ba1 56.506(14) . 7_556
Ba2 Cd1 Ba1 123.42(2) 3_445 7_556
Ba2 Cd1 Ba1 77.498(17) 3_455 7_556
Ba1 Cd1 Ba1 71.898(18) . 7_556
Sb3 Cd1 Ba1 114.82(2) 7_556 7_546
Sb3 Cd1 Ba1 55.735(16) 7_546 7_546
Sb2 Cd1 Ba1 139.301(14) 5_556 7_546
Sb1 Cd1 Ba1 56.506(14) . 7_546
Ba2 Cd1 Ba1 77.498(17) 3_445 7_546
Ba2 Cd1 Ba1 123.42(2) 3_455 7_546
Ba1 Cd1 Ba1 71.898(18) . 7_546
Ba1 Cd1 Ba1 72.01(2) 7_556 7_546
Sb3 Cd2 Sb2 114.607(19) . 7_546
Sb3 Cd2 Sb2 114.607(19) . 7_556
Sb2 Cd2 Sb2 112.38(3) 7_546 7_556
Sb3 Cd2 Sb3 109.90(2) . 5_656
Sb2 Cd2 Sb3 101.853(18) 7_546 5_656
Sb2 Cd2 Sb3 101.853(18) 7_556 5_656
Sb3 Cd2 Cd2 57.17(3) . 5_656
Sb2 Cd2 Cd2 122.409(16) 7_546 5_656
Sb2 Cd2 Cd2 122.409(16) 7_556 5_656
Sb3 Cd2 Cd2 52.73(2) 5_656 5_656
Sb3 Cd2 Ba2 171.16(2) . .
Sb2 Cd2 Ba2 62.085(16) 7_546 .
Sb2 Cd2 Ba2 62.085(16) 7_556 .
Sb3 Cd2 Ba2 78.938(19) 5_656 .
Cd2 Cd2 Ba2 131.67(3) 5_656 .
Sb3 Cd2 Ba1 58.824(14) . 7_546
Sb2 Cd2 Ba1 58.882(16) 7_546 7_546
Sb2 Cd2 Ba1 120.78(2) 7_556 7_546
Sb3 Cd2 Ba1 137.021(14) 5_656 7_546
Cd2 Cd2 Ba1 102.45(2) 5_656 7_546
Ba2 Cd2 Ba1 114.883(15) . 7_546
Sb3 Cd2 Ba1 58.824(14) . 7_556
Sb2 Cd2 Ba1 120.78(2) 7_546 7_556
Sb2 Cd2 Ba1 58.882(16) 7_556 7_556
Sb3 Cd2 Ba1 137.021(15) 5_656 7_556
Cd2 Cd2 Ba1 102.45(2) 5_656 7_556
Ba2 Cd2 Ba1 114.883(15) . 7_556
Ba1 Cd2 Ba1 76.48(2) 7_546 7_556
Sb1 Sb1 Cd1 113.74(3) 5 .
Sb1 Sb1 Ba1 135.834(11) 5 7_556
Cd1 Sb1 Ba1 78.33(2) . 7_556
Sb1 Sb1 Ba1 135.834(11) 5 7_546
Cd1 Sb1 Ba1 78.33(2) . 7_546
Ba1 Sb1 Ba1 87.31(2) 7_556 7_546
Sb1 Sb1 Ba2 69.59(2) 5 7_545
Cd1 Sb1 Ba2 137.742(11) . 7_545
Ba1 Sb1 Ba2 130.60(2) 7_556 7_545
Ba1 Sb1 Ba2 74.071(19) 7_546 7_545
Sb1 Sb1 Ba2 69.59(2) 5 7
Cd1 Sb1 Ba2 137.742(11) . 7
Ba1 Sb1 Ba2 74.071(19) 7_556 7
Ba1 Sb1 Ba2 130.60(2) 7_546 7
Ba2 Sb1 Ba2 84.16(2) 7_545 7
Sb1 Sb1 Ba2 64.893(19) 5 3_445
Cd1 Sb1 Ba2 65.884(16) . 3_445
Ba1 Sb1 Ba2 144.21(2) 7_556 3_445
Ba1 Sb1 Ba2 85.252(17) 7_546 3_445
Ba2 Sb1 Ba2 80.379(17) 7_545 3_445
Ba2 Sb1 Ba2 134.487(16) 7 3_445
Sb1 Sb1 Ba2 64.893(19) 5 3_455
Cd1 Sb1 Ba2 65.884(16) . 3_455
Ba1 Sb1 Ba2 85.252(17) 7_556 3_455
Ba1 Sb1 Ba2 144.21(2) 7_546 3_455
Ba2 Sb1 Ba2 134.487(16) 7_545 3_455
Ba2 Sb1 Ba2 80.379(17) 7 3_455
Ba2 Sb1 Ba2 80.71(2) 3_445 3_455
Cd1 Sb2 Cd2 77.110(17) 5_556 7_546
Cd1 Sb2 Cd2 77.110(17) 5_556 7_556
Cd2 Sb2 Cd2 112.38(3) 7_546 7_556
Cd1 Sb2 Ba1 128.80(2) 5_556 .
Cd2 Sb2 Ba1 75.076(18) 7_546 .
Cd2 Sb2 Ba1 75.076(19) 7_556 .
Cd1 Sb2 Ba2 69.344(17) 5_556 7_556
Cd2 Sb2 Ba2 144.57(2) 7_546 7_556
Cd2 Sb2 Ba2 71.33(2) 7_556 7_556
Ba1 Sb2 Ba2 136.012(11) . 7_556
Cd1 Sb2 Ba2 69.344(17) 5_556 7_546
Cd2 Sb2 Ba2 71.33(2) 7_546 7_546
Cd2 Sb2 Ba2 144.57(2) 7_556 7_546
Ba1 Sb2 Ba2 136.012(11) . 7_546
Ba2 Sb2 Ba2 86.16(2) 7_556 7_546
Cd1 Sb2 Ba2 156.53(2) 5_556 1_556
Cd2 Sb2 Ba2 114.060(17) 7_546 1_556
Cd2 Sb2 Ba2 114.060(17) 7_556 1_556
Ba1 Sb2 Ba2 74.68(2) . 1_556
Ba2 Sb2 Ba2 93.945(19) 7_556 1_556
Ba2 Sb2 Ba2 93.945(19) 7_546 1_556
Cd2 Sb3 Cd1 111.706(19) . 7_556
Cd2 Sb3 Cd1 111.706(19) . 7_546
Cd1 Sb3 Cd1 113.43(3) 7_556 7_546
Cd2 Sb3 Cd2 70.10(2) . 5_656
Cd1 Sb3 Cd2 75.202(17) 7_556 5_656
Cd1 Sb3 Cd2 75.202(17) 7_546 5_656
Cd2 Sb3 Ba1 155.37(2) . .
Cd1 Sb3 Ba1 80.373(19) 7_556 .
Cd1 Sb3 Ba1 80.373(19) 7_546 .
Cd2 Sb3 Ba1 134.52(2) 5_656 .
Cd2 Sb3 Ba1 75.50(2) . 7_546
Cd1 Sb3 Ba1 161.65(2) 7_556 7_546
Cd1 Sb3 Ba1 77.181(18) 7_546 7_546
Cd2 Sb3 Ba1 122.905(15) 5_656 7_546
Ba1 Sb3 Ba1 87.08(2) . 7_546
Cd2 Sb3 Ba1 75.50(2) . 7_556
Cd1 Sb3 Ba1 77.181(18) 7_556 7_556
Cd1 Sb3 Ba1 161.65(2) 7_546 7_556
Cd2 Sb3 Ba1 122.905(15) 5_656 7_556
Ba1 Sb3 Ba1 87.08(2) . 7_556
Ba1 Sb3 Ba1 88.92(2) 7_546 7_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba1 Sb3 3.4394(9) .
Ba1 Sb3 3.4436(6) 7_546
Ba1 Sb3 3.4436(6) 7_556
Ba1 Sb2 3.4524(8) .
Ba1 Sb1 3.4940(6) 7_556
Ba1 Sb1 3.4940(6) 7_546
Ba1 Cd2 3.8966(8) 7_546
Ba1 Cd2 3.8966(8) 7_556
Ba1 Cd1 3.9717(10) .
Ba1 Cd1 4.1030(9) 7_556
Ba1 Cd1 4.1030(9) 7_546
Ba1 Ba2 4.2729(12) 1_556
Ba2 Sb2 3.5313(7) 7_556
Ba2 Sb2 3.5313(7) 7_546
Ba2 Sb2 3.5904(9) 1_554
Ba2 Sb1 3.5988(7) 7_545
Ba2 Sb1 3.5988(7) 7
Ba2 Cd1 3.6959(7) 3
Ba2 Cd1 3.6958(7) 3_545
Ba2 Sb1 3.7249(8) 3
Ba2 Sb1 3.7249(8) 3_545
Ba2 Cd2 3.7861(11) .
Ba2 Ba1 4.2729(12) 1_554
Ba2 Ba2 4.7271(12) 5_655
Cd1 Sb3 2.8853(6) 7_556
Cd1 Sb3 2.8853(6) 7_546
Cd1 Sb2 2.9014(10) 5_556
Cd1 Sb1 2.9712(9) .
Cd1 Ba2 3.6959(7) 3_445
Cd1 Ba2 3.6959(7) 3_455
Cd1 Ba1 4.1031(9) 7_556
Cd1 Ba1 4.1031(9) 7_546
Cd2 Sb3 2.8794(9) .
Cd2 Sb2 2.9029(6) 7_546
Cd2 Sb2 2.9029(6) 7_556
Cd2 Sb3 3.0403(11) 5_656
Cd2 Cd2 3.4022(13) 5_656
Cd2 Ba1 3.8966(8) 7_546
Cd2 Ba1 3.8966(8) 7_556
Sb1 Sb1 2.8353(11) 5
Sb1 Ba1 3.4940(6) 7_556
Sb1 Ba1 3.4940(6) 7_546
Sb1 Ba2 3.5988(7) 7_545
Sb1 Ba2 3.5988(7) 7
Sb1 Ba2 3.7250(8) 3_445
Sb1 Ba2 3.7250(8) 3_455
Sb2 Cd1 2.9014(10) 5_556
Sb2 Cd2 2.9029(6) 7_546
Sb2 Cd2 2.9029(6) 7_556
Sb2 Ba2 3.5313(7) 7_556
Sb2 Ba2 3.5313(7) 7_546
Sb2 Ba2 3.5903(9) 1_556
Sb3 Cd1 2.8853(6) 7_556
Sb3 Cd1 2.8853(6) 7_546
Sb3 Cd2 3.0403(11) 5_656
Sb3 Ba1 3.4436(6) 7_546
Sb3 Ba1 3.4436(6) 7_556
