#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:17:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179239 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/59/4315905.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_4315905
loop_
_publ_author_name
'Wu-Zui Zheng'
'Peng Wang'
'Li-Ming Wu'
'Yi Liu'
'Ling Chen'
_publ_section_title
;
 Rb16Cd25.39(3)Sb36: An Electron-Deficient Zintl Phase Containing Infinite
 Dodecahedron Chains
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5890
_journal_page_last               5896
_journal_paper_doi               10.1021/ic100360n
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'Cd25.39 Rb16 Sb36'
_chemical_formula_sum            'Cd25.39 Rb16 Sb36'
_chemical_formula_weight         8604.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_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                90.00
_cell_formula_units_Z            1
_cell_length_a                   16.499(5)
_cell_length_b                   12.391(4)
_cell_length_c                   12.400(4)
_cell_measurement_reflns_used    3553
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.2857
_cell_volume                     2535.0(14)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_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      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0371
_diffrn_reflns_av_sigmaI/netI    0.0236
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9638
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    22.226
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4528
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Grey
_exptl_crystal_density_diffrn    5.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3647
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1200
_exptl_crystal_size_min          0.1000
_refine_diff_density_max         1.523
_refine_diff_density_min         -2.149
_refine_diff_density_rms         0.449
_refine_ls_extinction_coef       0.00104(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_matrix_type           full
_refine_ls_number_parameters     62
_refine_ls_number_reflns         1572
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.191
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0259
_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)+(0.0334P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0612
_refine_ls_wR_factor_ref         0.0622
_reflns_number_gt                1486
_reflns_number_total             1572
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100360n_si_001_3.cif
_cod_data_source_block           Rb16Cd25.39Sb36
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2535.1(15)
_cod_database_code               4315905
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-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
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.0000 0.0000 0.0000 0.0267(3) Uani 1 4 d S . .
Rb2 Rb 0.0000 0.57124(14) 0.2500 0.0930(8) Uani 1 4 d S . .
Rb3 Rb 0.19471(5) 0.35216(8) 0.2500 0.0335(2) Uani 1 2 d S . .
Cd1 Cd 0.13985(3) 0.05368(4) 0.2500 0.01802(15) Uani 1 2 d S . .
Cd2 Cd 0.36783(3) 0.24858(4) 0.04649(4) 0.02230(14) Uani 1 1 d . . .
Cd3 Cd 0.3890(2) 0.0000 0.0000 0.0253(13) Uani 0.174(3) 2 d SP . .
Sb1 Sb 0.0000 0.19191(6) 0.2500 0.01524(17) Uani 1 4 d S . .
Sb2 Sb 0.0000 0.33601(4) 0.07236(4) 0.01681(14) Uani 1 2 d S . .
Sb3 Sb 0.41503(3) 0.33772(4) 0.2500 0.01388(14) Uani 1 2 d S . .
Sb4 Sb 0.23354(2) 0.09511(3) 0.06264(3) 0.01653(12) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Rb Rb -0.9393 2.9676 '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'
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
Cd2 Rb1 Cd2 180.000(8) 13 5_445 ?
Cd2 Rb1 Cd2 110.92(3) 13 16_545 ?
Cd2 Rb1 Cd2 69.08(3) 5_445 16_545 ?
Cd2 Rb1 Cd2 69.08(3) 13 8_455 ?
Cd2 Rb1 Cd2 110.92(3) 5_445 8_455 ?
Cd2 Rb1 Cd2 180.000(13) 16_545 8_455 ?
Cd2 Rb1 Sb1 68.033(19) 13 . ?
Cd2 Rb1 Sb1 111.967(19) 5_445 . ?
Cd2 Rb1 Sb1 111.967(19) 16_545 . ?
Cd2 Rb1 Sb1 68.033(19) 8_455 . ?
Cd2 Rb1 Sb1 111.967(19) 13 9 ?
Cd2 Rb1 Sb1 68.033(19) 5_445 9 ?
Cd2 Rb1 Sb1 68.033(19) 16_545 9 ?
Cd2 Rb1 Sb1 111.967(19) 8_455 9 ?
Sb1 Rb1 Sb1 180.0 . 9 ?
Cd2 Rb1 Cd1 110.642(16) 13 9 ?
Cd2 Rb1 Cd1 69.358(16) 5_445 9 ?
Cd2 Rb1 Cd1 108.343(17) 16_545 9 ?
Cd2 Rb1 Cd1 71.657(17) 8_455 9 ?
Sb1 Rb1 Cd1 136.929(15) . 9 ?
Sb1 Rb1 Cd1 43.071(15) 9 9 ?
Cd2 Rb1 Cd1 69.358(16) 13 . ?
Cd2 Rb1 Cd1 110.642(16) 5_445 . ?
Cd2 Rb1 Cd1 71.657(17) 16_545 . ?
Cd2 Rb1 Cd1 108.343(17) 8_455 . ?
Sb1 Rb1 Cd1 43.071(15) . . ?
Sb1 Rb1 Cd1 136.929(15) 9 . ?
Cd1 Rb1 Cd1 180.00(2) 9 . ?
Cd2 Rb1 Cd1 108.343(17) 13 3 ?
Cd2 Rb1 Cd1 71.657(17) 5_445 3 ?
Cd2 Rb1 Cd1 110.642(16) 16_545 3 ?
Cd2 Rb1 Cd1 69.358(16) 8_455 3 ?
Sb1 Rb1 Cd1 43.071(15) . 3 ?
Sb1 Rb1 Cd1 136.929(15) 9 3 ?
Cd1 Rb1 Cd1 107.91(3) 9 3 ?
Cd1 Rb1 Cd1 72.09(3) . 3 ?
Cd2 Rb1 Cd1 71.657(17) 13 11 ?
Cd2 Rb1 Cd1 108.343(17) 5_445 11 ?
Cd2 Rb1 Cd1 69.358(16) 16_545 11 ?
Cd2 Rb1 Cd1 110.642(16) 8_455 11 ?
Sb1 Rb1 Cd1 136.929(15) . 11 ?
Sb1 Rb1 Cd1 43.071(15) 9 11 ?
Cd1 Rb1 Cd1 72.09(3) 9 11 ?
Cd1 Rb1 Cd1 107.91(3) . 11 ?
Cd1 Rb1 Cd1 180.000(13) 3 11 ?
Cd2 Rb1 Sb3 70.818(18) 13 15_455 ?
Cd2 Rb1 Sb3 109.182(18) 5_445 15_455 ?
Cd2 Rb1 Sb3 136.955(12) 16_545 15_455 ?
Cd2 Rb1 Sb3 43.045(12) 8_455 15_455 ?
Sb1 Rb1 Sb3 108.22(3) . 15_455 ?
Sb1 Rb1 Sb3 71.78(3) 9 15_455 ?
Cd1 Rb1 Sb3 42.052(18) 9 15_455 ?
Cd1 Rb1 Sb3 137.948(18) . 15_455 ?
Cd1 Rb1 Sb3 108.97(2) 3 15_455 ?
Cd1 Rb1 Sb3 71.03(2) 11 15_455 ?
Cd2 Rb1 Sb3 43.045(12) 13 13 ?
Cd2 Rb1 Sb3 136.955(12) 5_445 13 ?
Cd2 Rb1 Sb3 109.182(18) 16_545 13 ?
Cd2 Rb1 Sb3 70.818(18) 8_455 13 ?
Sb1 Rb1 Sb3 108.22(3) . 13 ?
Sb1 Rb1 Sb3 71.78(3) 9 13 ?
Cd1 Rb1 Sb3 71.03(2) 9 13 ?
Cd1 Rb1 Sb3 108.97(2) . 13 ?
Cd1 Rb1 Sb3 137.948(18) 3 13 ?
Cd1 Rb1 Sb3 42.052(18) 11 13 ?
Sb3 Rb1 Sb3 41.55(2) 15_455 13 ?
Sb3 Rb2 Sb3 46.01(3) 7 5_455 ?
Sb3 Rb2 Sb2 137.254(18) 7 . ?
Sb3 Rb2 Sb2 137.254(18) 5_455 . ?
Sb3 Rb2 Sb2 137.254(18) 7 10_556 ?
Sb3 Rb2 Sb2 137.254(18) 5_455 10_556 ?
Sb2 Rb2 Sb2 74.16(4) . 10_556 ?
Sb3 Rb2 Cd3 114.35(3) 7 5_455 ?
Sb3 Rb2 Cd3 91.49(3) 5_455 5_455 ?
Sb2 Rb2 Cd3 46.05(3) . 5_455 ?
Sb2 Rb2 Cd3 108.31(4) 10_556 5_455 ?
Sb3 Rb2 Cd3 91.49(3) 7 6 ?
Sb3 Rb2 Cd3 114.35(3) 5_455 6 ?
Sb2 Rb2 Cd3 108.31(4) . 6 ?
Sb2 Rb2 Cd3 46.05(3) 10_556 6 ?
Cd3 Rb2 Cd3 152.45(5) 5_455 6 ?
Sb3 Rb2 Cd3 91.49(3) 7 13 ?
Sb3 Rb2 Cd3 114.35(3) 5_455 13 ?
Sb2 Rb2 Cd3 46.05(3) . 13 ?
Sb2 Rb2 Cd3 108.31(4) 10_556 13 ?
Cd3 Rb2 Cd3 59.23(9) 5_455 13 ?
Cd3 Rb2 Cd3 113.47(8) 6 13 ?
Sb3 Rb2 Cd3 114.35(3) 7 14_456 ?
Sb3 Rb2 Cd3 91.49(3) 5_455 14_456 ?
Sb2 Rb2 Cd3 108.31(4) . 14_456 ?
Sb2 Rb2 Cd3 46.05(3) 10_556 14_456 ?
Cd3 Rb2 Cd3 113.47(8) 5_455 14_456 ?
Cd3 Rb2 Cd3 59.23(9) 6 14_456 ?
Cd3 Rb2 Cd3 152.45(5) 13 14_456 ?
Sb3 Rb2 Cd2 43.962(19) 7 7 ?
Sb3 Rb2 Cd2 72.96(3) 5_455 7 ?
Sb2 Rb2 Cd2 145.07(2) . 7 ?
Sb2 Rb2 Cd2 93.33(2) 10_556 7 ?
Cd3 Rb2 Cd2 158.29(4) 5_455 7 ?
Cd3 Rb2 Cd2 48.16(2) 6 7 ?
Cd3 Rb2 Cd2 112.92(5) 13 7 ?
Cd3 Rb2 Cd2 82.68(4) 14_456 7 ?
Sb3 Rb2 Cd2 72.96(3) 7 14_456 ?
Sb3 Rb2 Cd2 43.962(19) 5_455 14_456 ?
Sb2 Rb2 Cd2 145.07(2) . 14_456 ?
Sb2 Rb2 Cd2 93.33(2) 10_556 14_456 ?
Cd3 Rb2 Cd2 112.92(5) 5_455 14_456 ?
Cd3 Rb2 Cd2 82.68(4) 6 14_456 ?
Cd3 Rb2 Cd2 158.29(4) 13 14_456 ?
Cd3 Rb2 Cd2 48.16(2) 14_456 14_456 ?
Cd2 Rb2 Cd2 66.18(3) 7 14_456 ?
Sb3 Rb2 Cd2 72.96(3) 7 5_455 ?
Sb3 Rb2 Cd2 43.962(19) 5_455 5_455 ?
Sb2 Rb2 Cd2 93.33(2) . 5_455 ?
Sb2 Rb2 Cd2 145.07(2) 10_556 5_455 ?
Cd3 Rb2 Cd2 48.16(2) 5_455 5_455 ?
Cd3 Rb2 Cd2 158.29(4) 6 5_455 ?
Cd3 Rb2 Cd2 82.68(4) 13 5_455 ?
Cd3 Rb2 Cd2 112.92(5) 14_456 5_455 ?
Cd2 Rb2 Cd2 113.24(5) 7 5_455 ?
Cd2 Rb2 Cd2 78.37(3) 14_456 5_455 ?
Sb3 Rb2 Cd2 43.962(19) 7 16 ?
Sb3 Rb2 Cd2 72.96(3) 5_455 16 ?
Sb2 Rb2 Cd2 93.33(2) . 16 ?
Sb2 Rb2 Cd2 145.07(2) 10_556 16 ?
Cd3 Rb2 Cd2 82.68(4) 5_455 16 ?
Cd3 Rb2 Cd2 112.92(5) 6 16 ?
Cd3 Rb2 Cd2 48.16(2) 13 16 ?
Cd3 Rb2 Cd2 158.29(4) 14_456 16 ?
Cd2 Rb2 Cd2 78.37(3) 7 16 ?
Cd2 Rb2 Cd2 113.24(5) 14_456 16 ?
Cd2 Rb2 Cd2 66.18(3) 5_455 16 ?
Sb3 Rb3 Cd1 45.27(2) . 7 ?
Sb3 Rb3 Sb1 145.46(3) . . ?
Cd1 Rb3 Sb1 169.27(3) 7 . ?
Sb3 Rb3 Cd1 100.94(3) . . ?
Cd1 Rb3 Cd1 146.21(3) 7 . ?
Sb1 Rb3 Cd1 44.526(17) . . ?
Sb3 Rb3 Cd3 112.39(5) . 6 ?
Cd1 Rb3 Cd3 86.76(4) 7 6 ?
Sb1 Rb3 Cd3 86.86(5) . 6 ?
Cd1 Rb3 Cd3 112.11(3) . 6 ?
Sb3 Rb3 Cd3 112.39(5) . 13 ?
Cd1 Rb3 Cd3 86.76(4) 7 13 ?
Sb1 Rb3 Cd3 86.86(5) . 13 ?
Cd1 Rb3 Cd3 112.11(3) . 13 ?
Cd3 Rb3 Cd3 107.00(6) 6 13 ?
Sb3 Rb3 Sb2 145.100(16) . . ?
Cd1 Rb3 Sb2 129.97(3) 7 . ?
Sb1 Rb3 Sb2 43.314(18) . . ?
Cd1 Rb3 Sb2 75.779(18) . . ?
Cd3 Rb3 Sb2 100.57(5) 6 . ?
Cd3 Rb3 Sb2 43.58(4) 13 . ?
Sb3 Rb3 Sb2 145.100(16) . 10_556 ?
Cd1 Rb3 Sb2 129.97(3) 7 10_556 ?
Sb1 Rb3 Sb2 43.314(18) . 10_556 ?
Cd1 Rb3 Sb2 75.779(18) . 10_556 ?
Cd3 Rb3 Sb2 43.58(4) 6 10_556 ?
Cd3 Rb3 Sb2 100.57(5) 13 10_556 ?
Sb2 Rb3 Sb2 68.77(3) . 10_556 ?
Sb3 Rb3 Sb4 74.947(17) . 7 ?
Cd1 Rb3 Sb4 43.154(15) 7 7 ?
Sb1 Rb3 Sb4 130.56(2) . 7 ?
Cd1 Rb3 Sb4 143.600(16) . 7 ?
Cd3 Rb3 Sb4 43.81(4) 6 7 ?
Cd3 Rb3 Sb4 102.49(3) 13 7 ?
Sb2 Rb3 Sb4 127.81(3) . 7 ?
Sb2 Rb3 Sb4 87.37(2) 10_556 7 ?
Sb3 Rb3 Sb4 74.947(17) . 16 ?
Cd1 Rb3 Sb4 43.154(15) 7 16 ?
Sb1 Rb3 Sb4 130.56(2) . 16 ?
Cd1 Rb3 Sb4 143.600(16) . 16 ?
Cd3 Rb3 Sb4 102.49(3) 6 16 ?
Cd3 Rb3 Sb4 43.81(4) 13 16 ?
Sb2 Rb3 Sb4 87.37(2) . 16 ?
Sb2 Rb3 Sb4 127.81(3) 10_556 16 ?
Sb4 Rb3 Sb4 71.37(3) 7 16 ?
Sb3 Rb3 Sb4 78.500(18) . . ?
Cd1 Rb3 Sb4 114.83(3) 7 . ?
Sb1 Rb3 Sb4 73.57(2) . . ?
Cd1 Rb3 Sb4 42.569(18) . . ?
Cd3 Rb3 Sb4 154.67(3) 6 . ?
Cd3 Rb3 Sb4 88.20(3) 13 . ?
Sb2 Rb3 Sb4 76.272(19) . . ?
Sb2 Rb3 Sb4 114.81(3) 10_556 . ?
Sb4 Rb3 Sb4 153.44(3) 7 . ?
Sb4 Rb3 Sb4 102.46(3) 16 . ?
Sb3 Rb3 Sb4 78.500(18) . 10_556 ?
Cd1 Rb3 Sb4 114.83(3) 7 10_556 ?
Sb1 Rb3 Sb4 73.57(2) . 10_556 ?
Cd1 Rb3 Sb4 42.569(18) . 10_556 ?
Cd3 Rb3 Sb4 88.20(3) 6 10_556 ?
Cd3 Rb3 Sb4 154.67(3) 13 10_556 ?
Sb2 Rb3 Sb4 114.81(3) . 10_556 ?
Sb2 Rb3 Sb4 76.272(19) 10_556 10_556 ?
Sb4 Rb3 Sb4 102.46(3) 7 10_556 ?
Sb4 Rb3 Sb4 153.44(3) 16 10_556 ?
Sb4 Rb3 Sb4 71.14(3) . 10_556 ?
Sb3 Cd1 Sb4 110.243(17) 7_545 10_556 ?
Sb3 Cd1 Sb4 110.243(17) 7_545 . ?
Sb4 Cd1 Sb4 109.93(3) 10_556 . ?
Sb3 Cd1 Sb1 107.89(3) 7_545 . ?
Sb4 Cd1 Sb1 109.24(2) 10_556 . ?
Sb4 Cd1 Sb1 109.24(2) . . ?
Sb3 Cd1 Rb3 66.24(3) 7_545 7_545 ?
Sb4 Cd1 Rb3 73.75(2) 10_556 7_545 ?
Sb4 Cd1 Rb3 73.75(2) . 7_545 ?
Sb1 Cd1 Rb3 174.13(3) . 7_545 ?
Sb3 Cd1 Rb3 175.06(2) 7_545 . ?
Sb4 Cd1 Rb3 72.225(15) 10_556 . ?
Sb4 Cd1 Rb3 72.225(15) . . ?
Sb1 Cd1 Rb3 67.17(3) . . ?
Rb3 Cd1 Rb3 118.70(3) 7_545 . ?
Sb3 Cd1 Rb1 69.557(12) 7_545 . ?
Sb4 Cd1 Rb1 176.953(17) 10_556 . ?
Sb4 Cd1 Rb1 72.78(3) . . ?
Sb1 Cd1 Rb1 68.200(17) . . ?
Rb3 Cd1 Rb1 108.641(19) 7_545 . ?
Rb3 Cd1 Rb1 107.738(13) . . ?
Sb3 Cd1 Rb1 69.557(12) 7_545 2 ?
Sb4 Cd1 Rb1 72.78(3) 10_556 2 ?
Sb4 Cd1 Rb1 176.953(17) . 2 ?
Sb1 Cd1 Rb1 68.200(17) . 2 ?
Rb3 Cd1 Rb1 108.641(19) 7_545 2 ?
Rb3 Cd1 Rb1 107.738(13) . 2 ?
Rb1 Cd1 Rb1 104.48(3) . 2 ?
Sb2 Cd2 Sb3 113.08(3) 13 . ?
Sb2 Cd2 Sb4 116.69(3) 13 13 ?
Sb3 Cd2 Sb4 108.12(3) . 13 ?
Sb2 Cd2 Sb4 112.21(3) 13 . ?
Sb3 Cd2 Sb4 113.35(2) . . ?
Sb4 Cd2 Sb4 91.68(3) 13 . ?
Sb2 Cd2 Cd3 57.20(5) 13 . ?
Sb3 Cd2 Cd3 120.53(3) . . ?
Sb4 Cd2 Cd3 129.20(4) 13 . ?
Sb4 Cd2 Cd3 57.41(6) . . ?
Sb2 Cd2 Rb1 77.60(2) 13 5 ?
Sb3 Cd2 Rb1 70.448(18) . 5 ?
Sb4 Cd2 Rb1 73.47(3) 13 5 ?
Sb4 Cd2 Rb1 164.968(16) . 5 ?
Cd3 Cd2 Rb1 134.52(6) . 5 ?
Sb2 Cd2 Rb2 72.83(3) 13 5_545 ?
Sb3 Cd2 Rb2 60.45(3) . 5_545 ?
Sb4 Cd2 Rb2 168.22(2) 13 5_545 ?
Sb4 Cd2 Rb2 90.72(3) . 5_545 ?
Cd3 Cd2 Rb2 61.16(4) . 5_545 ?
Rb1 Cd2 Rb2 103.34(3) 5 5_545 ?
Sb2 Cd2 Rb3 66.84(2) 13 13 ?
Sb3 Cd2 Rb3 175.20(2) . 13 ?
Sb4 Cd2 Rb3 68.39(2) 13 13 ?
Sb4 Cd2 Rb3 70.505(18) . 13 ?
Cd3 Cd2 Rb3 63.74(3) . 13 ?
Rb1 Cd2 Rb3 105.08(2) 5 13 ?
Rb2 Cd2 Rb3 123.20(3) 5_545 13 ?
Sb2 Cd2 Rb3 172.39(2) 13 . ?
Sb3 Cd2 Rb3 61.11(2) . . ?
Sb4 Cd2 Rb3 70.70(2) 13 . ?
Sb4 Cd2 Rb3 68.08(2) . . ?
Cd3 Cd2 Rb3 120.33(5) . . ?
Rb1 Cd2 Rb3 103.78(2) 5 . ?
Rb2 Cd2 Rb3 99.61(3) 5_545 . ?
Rb3 Cd2 Rb3 119.40(2) 13 . ?
Sb2 Cd3 Sb2 100.97(10) 13 5_545 ?
Sb2 Cd3 Sb4 139.36(5) 13 4 ?
Sb2 Cd3 Sb4 110.85(3) 5_545 4 ?
Sb2 Cd3 Sb4 110.85(3) 13 . ?
Sb2 Cd3 Sb4 139.36(5) 5_545 . ?
Sb4 Cd3 Sb4 57.66(7) 4 . ?
Sb2 Cd3 Cd2 134.65(8) 13 4 ?
Sb2 Cd3 Cd2 55.80(2) 5_545 4 ?
Sb4 Cd3 Cd2 57.40(3) 4 4 ?
Sb4 Cd3 Cd2 110.18(9) . 4 ?
Sb2 Cd3 Cd2 55.80(2) 13 . ?
Sb2 Cd3 Cd2 134.65(8) 5_545 . ?
Sb4 Cd3 Cd2 110.18(9) 4 . ?
Sb4 Cd3 Cd2 57.40(3) . . ?
Cd2 Cd3 Cd2 167.30(12) 4 . ?
Sb2 Cd3 Rb2 77.18(6) 13 5_545 ?
Sb2 Cd3 Rb2 65.99(5) 5_545 5_545 ?
Sb4 Cd3 Rb2 138.65(6) 4 5_545 ?
Sb4 Cd3 Rb2 96.61(3) . 5_545 ?
Cd2 Cd3 Rb2 116.11(5) 4 5_545 ?
Cd2 Cd3 Rb2 70.68(3) . 5_545 ?
Sb2 Cd3 Rb2 65.99(5) 13 13 ?
Sb2 Cd3 Rb2 77.18(6) 5_545 13 ?
Sb4 Cd3 Rb2 96.61(3) 4 13 ?
Sb4 Cd3 Rb2 138.65(6) . 13 ?
Cd2 Cd3 Rb2 70.68(3) 4 13 ?
Cd2 Cd3 Rb2 116.11(5) . 13 ?
Rb2 Cd3 Rb2 120.77(9) 5_545 13 ?
Sb2 Cd3 Rb3 69.02(2) 13 13 ?
Sb2 Cd3 Rb3 144.44(5) 5_545 13 ?
Sb4 Cd3 Rb3 70.39(5) 4 13 ?
Sb4 Cd3 Rb3 73.05(5) . 13 ?
Cd2 Cd3 Rb3 106.11(4) 4 13 ?
Cd2 Cd3 Rb3 69.10(3) . 13 ?
Rb2 Cd3 Rb3 137.38(4) 5_545 13 ?
Rb2 Cd3 Rb3 67.53(3) 13 13 ?
Sb2 Cd3 Rb3 144.44(5) 13 7_545 ?
Sb2 Cd3 Rb3 69.02(2) 5_545 7_545 ?
Sb4 Cd3 Rb3 73.05(5) 4 7_545 ?
Sb4 Cd3 Rb3 70.39(5) . 7_545 ?
Cd2 Cd3 Rb3 69.10(3) 4 7_545 ?
Cd2 Cd3 Rb3 106.11(4) . 7_545 ?
Rb2 Cd3 Rb3 67.53(3) 5_545 7_545 ?
Rb2 Cd3 Rb3 137.38(4) 13 7_545 ?
Rb3 Cd3 Rb3 138.05(10) 13 7_545 ?
Sb2 Sb1 Sb2 101.94(4) 10_556 . ?
Sb2 Sb1 Cd1 112.045(14) 10_556 3 ?
Sb2 Sb1 Cd1 112.045(14) . 3 ?
Sb2 Sb1 Cd1 112.045(14) 10_556 . ?
Sb2 Sb1 Cd1 112.045(14) . . ?
Cd1 Sb1 Cd1 106.83(4) 3 . ?
Sb2 Sb1 Rb3 70.665(18) 10_556 . ?
Sb2 Sb1 Rb3 70.665(18) . . ?
Cd1 Sb1 Rb3 175.13(3) 3 . ?
Cd1 Sb1 Rb3 68.31(3) . . ?
Sb2 Sb1 Rb3 70.665(18) 10_556 3 ?
Sb2 Sb1 Rb3 70.665(18) . 3 ?
Cd1 Sb1 Rb3 68.31(3) 3 3 ?
Cd1 Sb1 Rb3 175.13(3) . 3 ?
Rb3 Sb1 Rb3 116.56(4) . 3 ?
Sb2 Sb1 Rb1 178.46(2) 10_556 . ?
Sb2 Sb1 Rb1 76.52(3) . . ?
Cd1 Sb1 Rb1 68.729(17) 3 . ?
Cd1 Sb1 Rb1 68.729(17) . . ?
Rb3 Sb1 Rb1 108.663(14) . . ?
Rb3 Sb1 Rb1 108.663(14) 3 . ?
Sb2 Sb1 Rb1 76.52(3) 10_556 2 ?
Sb2 Sb1 Rb1 178.46(2) . 2 ?
Cd1 Sb1 Rb1 68.729(17) 3 2 ?
Cd1 Sb1 Rb1 68.729(17) . 2 ?
Rb3 Sb1 Rb1 108.663(13) . 2 ?
Rb3 Sb1 Rb1 108.663(14) 3 2 ?
Rb1 Sb1 Rb1 105.02(3) . 2 ?
Cd2 Sb2 Cd2 100.66(3) 8_455 13 ?
Cd2 Sb2 Sb1 99.85(2) 8_455 . ?
Cd2 Sb2 Sb1 99.85(2) 13 . ?
Cd2 Sb2 Cd3 126.07(4) 8_455 13 ?
Cd2 Sb2 Cd3 67.00(4) 13 13 ?
Sb1 Sb2 Cd3 133.35(4) . 13 ?
Cd2 Sb2 Cd3 67.00(4) 8_455 5_455 ?
Cd2 Sb2 Cd3 126.07(4) 13 5_455 ?
Sb1 Sb2 Cd3 133.35(4) . 5_455 ?
Cd3 Sb2 Cd3 79.03(10) 13 5_455 ?
Cd2 Sb2 Rb2 127.503(17) 8_455 . ?
Cd2 Sb2 Rb2 127.503(17) 13 . ?
Sb1 Sb2 Rb2 91.95(4) . . ?
Cd3 Sb2 Rb2 67.97(3) 13 . ?
Cd3 Sb2 Rb2 67.97(3) 5_455 . ?
Cd2 Sb2 Rb3 161.22(2) 8_455 . ?
Cd2 Sb2 Rb3 71.26(3) 13 . ?
Sb1 Sb2 Rb3 66.021(19) . . ?
Cd3 Sb2 Rb3 67.40(5) 13 . ?
Cd3 Sb2 Rb3 131.59(4) 5_455 . ?
Rb2 Sb2 Rb3 67.58(2) . . ?
Cd2 Sb2 Rb3 71.26(3) 8_455 3 ?
Cd2 Sb2 Rb3 161.22(2) 13 3 ?
Sb1 Sb2 Rb3 66.021(19) . 3 ?
Cd3 Sb2 Rb3 131.59(4) 13 3 ?
Cd3 Sb2 Rb3 67.40(5) 5_455 3 ?
Rb2 Sb2 Rb3 67.58(2) . 3 ?
Rb3 Sb2 Rb3 110.91(3) . 3 ?
Cd2 Sb2 Rb2 66.56(2) 8_455 9_565 ?
Cd2 Sb2 Rb2 66.56(2) 13 9_565 ?
Sb1 Sb2 Rb2 157.01(3) . 9_565 ?
Cd3 Sb2 Rb2 60.36(3) 13 9_565 ?
Cd3 Sb2 Rb2 60.36(3) 5_455 9_565 ?
Rb2 Sb2 Rb2 111.04(2) . 9_565 ?
Rb3 Sb2 Rb2 121.910(17) . 9_565 ?
Rb3 Sb2 Rb2 121.910(17) 3 9_565 ?
Cd2 Sb2 Rb1 61.884(15) 8_455 . ?
Cd2 Sb2 Rb1 61.884(15) 13 . ?
Sb1 Sb2 Rb1 63.13(2) . . ?
Cd3 Sb2 Rb1 128.63(4) 13 . ?
Cd3 Sb2 Rb1 128.63(4) 5_455 . ?
Rb2 Sb2 Rb1 155.08(2) . . ?
Rb3 Sb2 Rb1 99.737(17) . . ?
Rb3 Sb2 Rb1 99.737(17) 3 . ?
Rb2 Sb2 Rb1 93.88(3) 9_565 . ?
Sb3 Sb3 Cd1 108.693(17) 3_655 7 ?
Sb3 Sb3 Cd2 105.785(14) 3_655 . ?
Cd1 Sb3 Cd2 106.161(18) 7 . ?
Sb3 Sb3 Cd2 105.785(14) 3_655 10_556 ?
Cd1 Sb3 Cd2 106.161(18) 7 10_556 ?
Cd2 Sb3 Cd2 123.66(3) . 10_556 ?
Sb3 Sb3 Rb2 66.996(16) 3_655 5_545 ?
Cd1 Sb3 Rb2 175.69(2) 7 5_545 ?
Cd2 Sb3 Rb2 75.589(17) . 5_545 ?
Cd2 Sb3 Rb2 75.589(17) 10_556 5_545 ?
Sb3 Sb3 Rb3 177.183(17) 3_655 . ?
Cd1 Sb3 Rb3 68.49(2) 7 . ?
Cd2 Sb3 Rb3 75.360(15) . . ?
Cd2 Sb3 Rb3 75.360(15) 10_556 . ?
Rb2 Sb3 Rb3 115.82(2) 5_545 . ?
Sb3 Sb3 Rb1 69.223(10) 3_655 6 ?
Cd1 Sb3 Rb1 68.391(16) 7 6 ?
Cd2 Sb3 Rb1 169.836(16) . 6 ?
Cd2 Sb3 Rb1 66.51(2) 10_556 6 ?
Rb2 Sb3 Rb1 109.251(18) 5_545 6 ?
Rb3 Sb3 Rb1 109.227(14) . 6 ?
Sb3 Sb3 Rb1 69.223(10) 3_655 5 ?
Cd1 Sb3 Rb1 68.391(17) 7 5 ?
Cd2 Sb3 Rb1 66.51(2) . 5 ?
Cd2 Sb3 Rb1 169.836(16) 10_556 5 ?
Rb2 Sb3 Rb1 109.251(18) 5_545 5 ?
Rb3 Sb3 Rb1 109.227(14) . 5 ?
Rb1 Sb3 Rb1 103.33(3) 6 5 ?
Sb4 Sb4 Cd1 107.43(2) 4 . ?
Sb4 Sb4 Cd2 107.54(3) 4 13 ?
Cd1 Sb4 Cd2 100.90(3) . 13 ?
Sb4 Sb4 Cd2 120.32(2) 4 . ?
Cd1 Sb4 Cd2 125.88(2) . . ?
Cd2 Sb4 Cd2 88.32(3) 13 . ?
Sb4 Sb4 Cd3 61.17(3) 4 . ?
Cd1 Sb4 Cd3 128.441(19) . . ?
Cd2 Sb4 Cd3 130.65(2) 13 . ?
Cd2 Sb4 Cd3 65.18(4) . . ?
Sb4 Sb4 Rb3 71.93(3) 4 7_545 ?
Cd1 Sb4 Rb3 63.10(2) . 7_545 ?
Cd2 Sb4 Rb3 161.836(19) 13 7_545 ?
Cd2 Sb4 Rb3 107.82(3) . 7_545 ?
Cd3 Sb4 Rb3 65.799(18) . 7_545 ?
Sb4 Sb4 Rb3 170.382(14) 4 . ?
Cd1 Sb4 Rb3 65.21(2) . . ?
Cd2 Sb4 Rb3 69.25(3) 13 . ?
Cd2 Sb4 Rb3 69.09(2) . . ?
Cd3 Sb4 Rb3 128.02(4) . . ?
Rb3 Sb4 Rb3 108.13(3) 7_545 . ?
Sb4 Sb4 Rb1 69.881(9) 4 . ?
Cd1 Sb4 Rb1 65.89(2) . . ?
Cd2 Sb4 Rb1 63.97(2) 13 . ?
Cd2 Sb4 Rb1 152.192(16) . . ?
Cd3 Sb4 Rb1 131.05(4) . . ?
Rb3 Sb4 Rb1 99.93(2) 7_545 . ?
Rb3 Sb4 Rb1 100.868(18) . . ?
Sb4 Sb4 Rb3 67.25(3) 4 13 ?
Cd1 Sb4 Rb3 163.537(19) . 13 ?
Cd2 Sb4 Rb3 67.59(2) 13 13 ?
Cd2 Sb4 Rb3 67.277(16) . 13 ?
Cd3 Sb4 Rb3 63.956(17) . 13 ?
Rb3 Sb4 Rb3 125.83(2) 7_545 13 ?
Rb3 Sb4 Rb3 117.94(2) . 13 ?
Rb1 Sb4 Rb3 97.914(18) . 13 ?
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
Rb1 Cd2 3.8462(10) 13 ?
Rb1 Cd2 3.8462(10) 5_445 ?
Rb1 Cd2 3.8462(10) 16_545 ?
Rb1 Cd2 3.8462(10) 8_455 ?
Rb1 Sb1 3.9070(11) . ?
Rb1 Sb1 3.9070(11) 9 ?
Rb1 Cd1 3.9213(10) 9 ?
Rb1 Cd1 3.9213(10) . ?
Rb1 Cd1 3.9213(10) 3 ?
Rb1 Cd1 3.9213(10) 11 ?
Rb1 Sb3 3.9521(10) 15_455 ?
Rb1 Sb3 3.9521(10) 13 ?
Rb2 Sb3 3.5873(19) 7 ?
Rb2 Sb3 3.5873(19) 5_455 ?
Rb2 Sb2 3.6536(17) . ?
Rb2 Sb2 3.6536(17) 10_556 ?
Rb2 Cd3 3.7075(19) 5_455 ?
Rb2 Cd3 3.7075(19) 6 ?
Rb2 Cd3 3.7075(19) 13 ?
Rb2 Cd3 3.7075(19) 14_456 ?
Rb2 Cd2 3.9940(13) 7 ?
Rb2 Cd2 3.9940(13) 14_456 ?
Rb2 Cd2 3.9940(13) 5_455 ?
Rb2 Cd2 3.9940(13) 16 ?
Rb3 Sb3 3.6394(15) . ?
Rb3 Cd1 3.6995(13) 7 ?
Rb3 Sb1 3.7768(13) . ?
Rb3 Cd1 3.8077(16) . ?
Rb3 Cd3 3.8564(16) 6 ?
Rb3 Cd3 3.8564(16) 13 ?
Rb3 Sb2 3.9004(12) . ?
Rb3 Sb2 3.9004(12) 10_556 ?
Rb3 Sb4 3.9827(12) 7 ?
Rb3 Sb4 3.9827(12) 16 ?
Rb3 Sb4 3.9941(13) . ?
Rb3 Sb4 3.9941(13) 10_556 ?
Cd1 Sb3 2.8250(11) 7_545 ?
Cd1 Sb4 2.8374(8) 10_556 ?
Cd1 Sb4 2.8374(8) . ?
Cd1 Sb1 2.8736(10) . ?
Cd1 Rb3 3.6995(13) 7_545 ?
Cd1 Rb1 3.9213(10) 2 ?
Cd2 Sb2 2.8330(8) 13 ?
Cd2 Sb3 2.8626(9) . ?
Cd2 Sb4 2.8948(8) 13 ?
Cd2 Sb4 2.9267(9) . ?
Cd2 Cd3 3.1530(12) . ?
Cd2 Rb1 3.8462(10) 5 ?
Cd2 Rb2 3.9940(13) 5_545 ?
Cd3 Sb2 2.879(2) 13 ?
Cd3 Sb2 2.879(2) 5_545 ?
Cd3 Sb4 2.927(3) 4 ?
Cd3 Sb4 2.927(3) . ?
Cd3 Cd2 3.1530(12) 4 ?
Cd3 Rb2 3.7075(19) 5_545 ?
Cd3 Rb2 3.7075(19) 13 ?
Cd3 Rb3 3.8564(16) 13 ?
Cd3 Rb3 3.8564(16) 7_545 ?
Sb1 Sb2 2.8356(10) 10_556 ?
Sb1 Sb2 2.8356(10) . ?
Sb1 Cd1 2.8736(10) 3 ?
Sb1 Rb3 3.7768(13) 3 ?
Sb1 Rb1 3.9070(11) 2 ?
Sb2 Cd2 2.8330(8) 8_455 ?
Sb2 Cd2 2.8330(8) 13 ?
Sb2 Cd3 2.879(2) 13 ?
Sb2 Cd3 2.879(2) 5_455 ?
Sb2 Rb3 3.9004(12) 3 ?
Sb3 Sb3 2.8039(13) 3_655 ?
Sb3 Cd1 2.8250(11) 7 ?
Sb3 Cd2 2.8626(9) 10_556 ?
Sb3 Rb2 3.5873(19) 5_545 ?
Sb3 Rb1 3.9521(10) 6 ?
Sb3 Rb1 3.9521(10) 5 ?
Sb4 Sb4 2.8230(10) 4 ?
Sb4 Cd2 2.8948(8) 13 ?
Sb4 Rb3 3.9827(12) 7_545 ?
