#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:06:12 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179093 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/55/4305536.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_4305536
loop_
_publ_author_name
'Yi Liu'
'Ling Chen'
'Long-Hua Li'
'Li-Ming Wu'
'Oksana Ya. Zelinska'
'Arthur Mar'
_publ_contact_author_address
; Department of Chemistry
  University of Alberta
  Edmonton, AB
  Canada  T6G 2G2
;
_publ_contact_author_email       arthur.mar@ualberta.ca
_publ_contact_author_fax         '(780) 492-8231'
_publ_contact_author_name        'Dr. Arthur Mar'
_publ_contact_author_phone       '(780) 492-5592'
_publ_section_title
;
Structures and Physical Properties of Rare-Earth Zinc Antimonides
Pr6Zn1+xSb14+yandRE6Zn1+xSb14 (RE= Sm, Gd-Ho)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11930
_journal_page_last               11941
_journal_paper_doi               10.1021/ic800524d
_journal_volume                  47
_journal_year                    2008
_chemical_formula_structural     'Tb6 Zn1.41 Sb14'
_chemical_formula_sum            'Sb14 Tb6 Zn1.41'
_chemical_formula_weight         2750.52
_chemical_name_common            'terbium zinc antimonide (6/1/14)'
_chemical_name_systematic        'terbium zinc antimonide (6/1/14)'
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m 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            2
_cell_length_a                   4.1426(2)
_cell_length_b                   14.8742(6)
_cell_length_c                   18.6617(8)
_cell_measurement_reflns_used    6807
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      33.04
_cell_measurement_theta_min      2.18
_cell_volume                     1149.89(9)
_computing_cell_refinement       'Bruker SAINT 7.06 (Bruker, 2004)'
_computing_data_collection       'Bruker SMART 5.054 (Bruker, 1999)'
_computing_data_reduction        'Bruker SAINT 7.06'
_computing_molecular_graphics    'ATOMS 5.1 (Dowty, 1999)'
_computing_publication_material  'Bruker SHELXTL 6.12'
_computing_structure_refinement  'Bruker SHELXTL 6.12'
_computing_structure_solution    'Bruker SHELXTL 6.12'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Platform/SMART 1000 CCD'
_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  0.0395
_diffrn_reflns_av_sigmaI/netI    0.0259
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            8200
_diffrn_reflns_theta_full        33.14
_diffrn_reflns_theta_max         33.14
_diffrn_reflns_theta_min         1.75
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    35.720
_exptl_absorpt_correction_T_max  0.2195
_exptl_absorpt_correction_T_min  0.0595
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SHELXTL 6.12 (Sheldrick, 2001)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.944
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2293
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         5.978
_refine_diff_density_min         -5.217
_refine_diff_density_rms         0.504
_refine_ls_extinction_coef       0.00088(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   1.164
_refine_ls_matrix_type           full
_refine_ls_number_parameters     47
_refine_ls_number_reflns         1297
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0324
_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)+(0.0169P)²+67.1898P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0710
_reflns_number_gt                1222
_reflns_number_total             1297
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic800524d_si_003_5.cif
_cod_data_source_block           Tb6ZnSb14
_cod_database_code               4305536
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -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+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, 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+1/2'
'-x+1/2, y+1/2, 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
Tb1 Tb 0.0000 0.13843(3) 0.36367(2) 0.00821(11) Uani 1 2 d S . .
Tb2 Tb 0.0000 0.0000 0.17685(3) 0.00989(13) Uani 1 4 d S . .
Zn1 Zn 0.5000 0.0000 0.4372(16) 0.008(8) Uiso 0.048(8) 4 d SP . .
Zn2 Zn 0.0000 0.26173(17) 0.5000 0.0136(7) Uani 0.659(9) 4 d SP . .
Sb1 Sb 0.0000 0.21116(4) 0.19738(3) 0.00908(13) Uani 1 2 d S . .
Sb2 Sb 0.0000 0.36858(5) 0.39933(4) 0.02089(17) Uani 1 2 d S . .
Sb3 Sb 0.5000 0.0000 0.30216(4) 0.00797(15) Uani 1 4 d S . .
Sb4 Sb 0.0000 0.34697(6) 0.0000 0.01219(17) Uani 1 4 d S . .
Sb5A Sb 0.5000 0.5000 0.0000 0.0087(5) Uiso 0.368(8) 8 d SP . .
Sb5B Sb 0.3992(12) 0.5000 0.0000 0.0087(5) Uiso 0.312(4) 4 d SP . .
Sb6 Sb 0.0000 0.0000 0.0000 0.0256(3) Uani 1 8 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Zn Zn 0.2839 1.4301 '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'
Tb Tb -0.1723 4.1537 '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
Zn2 Tb1 Sb3 132.88(2) . 1_455 ?
Zn2 Tb1 Sb3 132.88(2) . . ?
Sb3 Tb1 Sb3 82.608(14) 1_455 . ?
Zn2 Tb1 Zn1 91.6(5) . 1_455 ?
Sb3 Tb1 Zn1 46.6(5) 1_455 1_455 ?
Sb3 Tb1 Zn1 99.24(17) . 1_455 ?
Zn2 Tb1 Zn1 91.6(4) . . ?
Sb3 Tb1 Zn1 99.24(17) 1_455 . ?
Sb3 Tb1 Zn1 46.6(5) . . ?
Zn1 Tb1 Zn1 79.9(4) 1_455 . ?
Zn2 Tb1 Sb1 83.22(3) . 13 ?
Sb3 Tb1 Sb1 137.99(2) 1_455 13 ?
Sb3 Tb1 Sb1 84.429(11) . 13 ?
Zn1 Tb1 Sb1 174.8(4) 1_455 13 ?
Zn1 Tb1 Sb1 100.31(15) . 13 ?
Zn2 Tb1 Sb1 83.22(3) . 13_455 ?
Sb3 Tb1 Sb1 84.429(11) 1_455 13_455 ?
Sb3 Tb1 Sb1 137.99(2) . 13_455 ?
Zn1 Tb1 Sb1 100.31(15) 1_455 13_455 ?
Zn1 Tb1 Sb1 174.8(4) . 13_455 ?
Sb1 Tb1 Sb1 79.046(16) 13 13_455 ?
Zn2 Tb1 Sb5A 74.77(4) . 5_445 ?
Sb3 Tb1 Sb5A 82.621(15) 1_455 5_445 ?
Sb3 Tb1 Sb5A 82.621(15) . 5_445 ?
Zn1 Tb1 Sb5A 42.9(4) 1_455 5_445 ?
Zn1 Tb1 Sb5A 42.9(4) . 5_445 ?
Sb1 Tb1 Sb5A 134.790(11) 13 5_445 ?
Sb1 Tb1 Sb5A 134.790(11) 13_455 5_445 ?
Zn2 Tb1 Sb1 124.99(4) . . ?
Sb3 Tb1 Sb1 82.564(18) 1_455 . ?
Sb3 Tb1 Sb1 82.564(18) . . ?
Zn1 Tb1 Sb1 127.7(5) 1_455 . ?
Zn1 Tb1 Sb1 127.7(5) . . ?
Sb1 Tb1 Sb1 56.165(15) 13 . ?
Sb1 Tb1 Sb1 56.165(15) 13_455 . ?
Sb5A Tb1 Sb1 160.236(18) 5_445 . ?
Zn2 Tb1 Sb4 48.22(2) . 13 ?
Sb3 Tb1 Sb4 137.92(2) 1_455 13 ?
Sb3 Tb1 Sb4 84.869(17) . 13 ?
Zn1 Tb1 Sb4 96.7(5) 1_455 13 ?
Zn1 Tb1 Sb4 46.3(4) . 13 ?
Sb1 Tb1 Sb4 79.895(15) 13 13 ?
Sb1 Tb1 Sb4 128.78(2) 13_455 13 ?
Sb5A Tb1 Sb4 55.948(14) 5_445 13 ?
Sb1 Tb1 Sb4 135.148(13) . 13 ?
Zn2 Tb1 Sb4 48.22(2) . 13_455 ?
Sb3 Tb1 Sb4 84.869(17) 1_455 13_455 ?
Sb3 Tb1 Sb4 137.92(2) . 13_455 ?
Zn1 Tb1 Sb4 46.3(4) 1_455 13_455 ?
Zn1 Tb1 Sb4 96.7(5) . 13_455 ?
Sb1 Tb1 Sb4 128.78(2) 13 13_455 ?
Sb1 Tb1 Sb4 79.895(15) 13_455 13_455 ?
Sb5A Tb1 Sb4 55.948(14) 5_445 13_455 ?
Sb1 Tb1 Sb4 135.148(12) . 13_455 ?
Sb4 Tb1 Sb4 78.097(10) 13 13_455 ?
Zn2 Tb1 Sb5B 74.90(4) . 13 ?
Sb3 Tb1 Sb5B 87.49(6) 1_455 13 ?
Sb3 Tb1 Sb5B 77.82(6) . 13 ?
Zn1 Tb1 Sb5B 49.8(4) 1_455 13 ?
Zn1 Tb1 Sb5B 36.2(4) . 13 ?
Sb1 Tb1 Sb5B 128.19(8) 13 13 ?
Sb1 Tb1 Sb5B 141.20(7) 13_455 13 ?
Sb5A Tb1 Sb5B 7.27(8) 5_445 13 ?
Sb1 Tb1 Sb5B 158.99(3) . 13 ?
Sb4 Tb1 Sb5B 50.57(6) 13 13 ?
Sb4 Tb1 Sb5B 61.59(7) 13_455 13 ?
Sb3 Tb2 Sb3 83.07(3) . 1_455 ?
Sb3 Tb2 Sb1 84.800(12) . . ?
Sb3 Tb2 Sb1 84.800(12) 1_455 . ?
Sb3 Tb2 Sb1 84.800(12) . 2 ?
Sb3 Tb2 Sb1 84.800(12) 1_455 2 ?
Sb1 Tb2 Sb1 166.09(3) . 2 ?
Sb3 Tb2 Sb2 139.977(16) . 14_445 ?
Sb3 Tb2 Sb2 84.426(15) 1_455 14_445 ?
Sb1 Tb2 Sb2 131.578(15) . 14_445 ?
Sb1 Tb2 Sb2 56.255(14) 2 14_445 ?
Sb3 Tb2 Sb2 84.426(15) . 13 ?
Sb3 Tb2 Sb2 139.977(16) 1_455 13 ?
Sb1 Tb2 Sb2 56.255(14) . 13 ?
Sb1 Tb2 Sb2 131.578(15) 2 13 ?
Sb2 Tb2 Sb2 126.95(3) 14_445 13 ?
Sb3 Tb2 Sb2 84.426(15) . 14_545 ?
Sb3 Tb2 Sb2 139.977(16) 1_455 14_545 ?
Sb1 Tb2 Sb2 131.578(15) . 14_545 ?
Sb1 Tb2 Sb2 56.255(14) 2 14_545 ?
Sb2 Tb2 Sb2 81.19(2) 14_445 14_545 ?
Sb2 Tb2 Sb2 75.77(3) 13 14_545 ?
Sb3 Tb2 Sb2 139.977(16) . 13_455 ?
Sb3 Tb2 Sb2 84.426(15) 1_455 13_455 ?
Sb1 Tb2 Sb2 56.255(14) . 13_455 ?
Sb1 Tb2 Sb2 131.578(15) 2 13_455 ?
Sb2 Tb2 Sb2 75.77(3) 14_445 13_455 ?
Sb2 Tb2 Sb2 81.19(2) 13 13_455 ?
Sb2 Tb2 Sb2 126.95(3) 14_545 13_455 ?
Sb3 Tb2 Sb6 138.466(13) . . ?
Sb3 Tb2 Sb6 138.466(13) 1_455 . ?
Sb1 Tb2 Sb6 96.954(15) . . ?
Sb1 Tb2 Sb6 96.954(15) 2 . ?
Sb2 Tb2 Sb6 63.473(17) 14_445 . ?
Sb2 Tb2 Sb6 63.473(17) 13 . ?
Sb2 Tb2 Sb6 63.473(17) 14_545 . ?
Sb2 Tb2 Sb6 63.473(17) 13_455 . ?
Sb5B Zn1 Sb5B 109.4(14) 5_545 13 ?
Sb5B Zn1 Zn1 54.7(7) 5_545 9_656 ?
Sb5B Zn1 Zn1 54.7(7) 13 9_656 ?
Sb5B Zn1 Sb5A 5.82(11) 5_545 5_545 ?
Sb5B Zn1 Sb5A 115.2(14) 13 5_545 ?
Zn1 Zn1 Sb5A 60.5(6) 9_656 5_545 ?
Sb5B Zn1 Sb5A 115.2(14) 5_545 5_445 ?
Sb5B Zn1 Sb5A 5.82(11) 13 5_445 ?
Zn1 Zn1 Sb5A 60.5(6) 9_656 5_445 ?
Sb5A Zn1 Sb5A 121.0(13) 5_545 5_445 ?
Sb5B Zn1 Sb3 125.3(7) 5_545 . ?
Sb5B Zn1 Sb3 125.3(7) 13 . ?
Zn1 Zn1 Sb3 180.000(2) 9_656 . ?
Sb5A Zn1 Sb3 119.5(6) 5_545 . ?
Sb5A Zn1 Sb3 119.5(6) 5_445 . ?
Sb5B Zn1 Sb4 74.7(6) 5_545 13 ?
Sb5B Zn1 Sb4 74.7(6) 13 13 ?
Zn1 Zn1 Sb4 62.8(6) 9_656 13 ?
Sb5A Zn1 Sb4 77.0(5) 5_545 13 ?
Sb5A Zn1 Sb4 77.0(5) 5_445 13 ?
Sb3 Zn1 Sb4 117.2(6) . 13 ?
Sb5B Zn1 Sb4 74.7(6) 5_545 5_545 ?
Sb5B Zn1 Sb4 74.7(6) 13 5_545 ?
Zn1 Zn1 Sb4 62.8(6) 9_656 5_545 ?
Sb5A Zn1 Sb4 77.0(5) 5_545 5_545 ?
Sb5A Zn1 Sb4 77.0(5) 5_445 5_545 ?
Sb3 Zn1 Sb4 117.2(6) . 5_545 ?
Sb4 Zn1 Sb4 125.5(12) 13 5_545 ?
Sb5B Zn1 Sb5B 10.11(18) 5_545 13_655 ?
Sb5B Zn1 Sb5B 119.5(13) 13 13_655 ?
Zn1 Zn1 Sb5B 64.8(6) 9_656 13_655 ?
Sb5A Zn1 Sb5B 4.29(8) 5_545 13_655 ?
Sb5A Zn1 Sb5B 125.3(12) 5_445 13_655 ?
Sb3 Zn1 Sb5B 115.2(6) . 13_655 ?
Sb4 Zn1 Sb5B 78.8(5) 13 13_655 ?
Sb4 Zn1 Sb5B 78.8(5) 5_545 13_655 ?
Sb5B Zn1 Sb5B 119.5(13) 5_545 5_445 ?
Sb5B Zn1 Sb5B 10.11(18) 13 5_445 ?
Zn1 Zn1 Sb5B 64.8(6) 9_656 5_445 ?
Sb5A Zn1 Sb5B 125.3(12) 5_545 5_445 ?
Sb5A Zn1 Sb5B 4.29(8) 5_445 5_445 ?
Sb3 Zn1 Sb5B 115.2(6) . 5_445 ?
Sb4 Zn1 Sb5B 78.8(5) 13 5_445 ?
Sb4 Zn1 Sb5B 78.8(5) 5_545 5_445 ?
Sb5B Zn1 Sb5B 129.6(12) 13_655 5_445 ?
Sb5B Zn1 Tb1 140.3(2) 5_545 2 ?
Sb5B Zn1 Tb1 73.87(15) 13 2 ?
Zn1 Zn1 Tb1 115.2(5) 9_656 2 ?
Sb5A Zn1 Tb1 140.18(9) 5_545 2 ?
Sb5A Zn1 Tb1 69.56(10) 5_445 2 ?
Sb3 Zn1 Tb1 64.8(5) . 2 ?
Sb4 Zn1 Tb1 139.64(3) 13 2 ?
Sb4 Zn1 Tb1 68.12(8) 5_545 2 ?
Sb5B Zn1 Tb1 139.631(19) 13_655 2 ?
Sb5B Zn1 Tb1 66.45(7) 5_445 2 ?
Sb5B Zn1 Tb1 73.87(15) 5_545 1_655 ?
Sb5B Zn1 Tb1 140.3(2) 13 1_655 ?
Zn1 Zn1 Tb1 115.2(5) 9_656 1_655 ?
Sb5A Zn1 Tb1 69.56(10) 5_545 1_655 ?
Sb5A Zn1 Tb1 140.18(9) 5_445 1_655 ?
Sb3 Zn1 Tb1 64.8(5) . 1_655 ?
Sb4 Zn1 Tb1 68.12(8) 13 1_655 ?
Sb4 Zn1 Tb1 139.64(3) 5_545 1_655 ?
Sb5B Zn1 Tb1 66.45(7) 13_655 1_655 ?
Sb5B Zn1 Tb1 139.631(19) 5_445 1_655 ?
Tb1 Zn1 Tb1 129.6(10) 2 1_655 ?
Sb2 Zn2 Sb2 99.54(10) 10_556 . ?
Sb2 Zn2 Sb4 113.417(13) 10_556 13_455 ?
Sb2 Zn2 Sb4 113.417(13) . 13_455 ?
Sb2 Zn2 Sb4 113.417(13) 10_556 13 ?
Sb2 Zn2 Sb4 113.417(13) . 13 ?
Sb4 Zn2 Sb4 104.05(9) 13_455 13 ?
Sb2 Zn2 Tb1 175.56(8) 10_556 . ?
Sb2 Zn2 Tb1 76.02(2) . . ?
Sb4 Zn2 Tb1 68.91(4) 13_455 . ?
Sb4 Zn2 Tb1 68.91(4) 13 . ?
Sb2 Zn2 Tb1 76.02(2) 10_556 10_556 ?
Sb2 Zn2 Tb1 175.56(8) . 10_556 ?
Sb4 Zn2 Tb1 68.91(4) 13_455 10_556 ?
Sb4 Zn2 Tb1 68.91(4) 13 10_556 ?
Tb1 Zn2 Tb1 108.43(8) . 10_556 ?
Sb2 Sb1 Sb2 87.61(3) 13_455 13 ?
Sb2 Sb1 Sb1 177.42(3) 13_455 13 ?
Sb2 Sb1 Sb1 93.887(13) 13 13 ?
Sb2 Sb1 Sb1 93.887(13) 13_455 13_455 ?
Sb2 Sb1 Sb1 177.42(3) 13 13_455 ?
Sb1 Sb1 Sb1 84.54(3) 13 13_455 ?
Sb2 Sb1 Tb2 62.19(2) 13_455 . ?
Sb2 Sb1 Tb2 62.19(2) 13 . ?
Sb1 Sb1 Tb2 116.72(2) 13 . ?
Sb1 Sb1 Tb2 116.72(2) 13_455 . ?
Sb2 Sb1 Tb1 120.12(3) 13_455 13 ?
Sb2 Sb1 Tb1 67.719(18) 13 13 ?
Sb1 Sb1 Tb1 62.436(16) 13 13 ?
Sb1 Sb1 Tb1 113.17(3) 13_455 13 ?
Tb2 Sb1 Tb1 129.788(15) . 13 ?
Sb2 Sb1 Tb1 67.719(18) 13_455 13_455 ?
Sb2 Sb1 Tb1 120.12(3) 13 13_455 ?
Sb1 Sb1 Tb1 113.17(3) 13 13_455 ?
Sb1 Sb1 Tb1 62.436(16) 13_455 13_455 ?
Tb2 Sb1 Tb1 129.788(15) . 13_455 ?
Tb1 Sb1 Tb1 79.046(16) 13 13_455 ?
Sb2 Sb1 Tb1 116.04(2) 13_455 . ?
Sb2 Sb1 Tb1 116.04(2) 13 . ?
Sb1 Sb1 Tb1 61.398(19) 13 . ?
Sb1 Sb1 Tb1 61.398(19) 13_455 . ?
Tb2 Sb1 Tb1 77.734(19) . . ?
Tb1 Sb1 Tb1 123.835(15) 13 . ?
Tb1 Sb1 Tb1 123.835(15) 13_455 . ?
Zn2 Sb2 Sb1 101.80(4) . 13_455 ?
Zn2 Sb2 Sb1 101.80(4) . 13 ?
Sb1 Sb2 Sb1 87.61(3) 13_455 13 ?
Zn2 Sb2 Tb2 137.527(19) . 13 ?
Sb1 Sb2 Tb2 115.12(3) 13_455 13 ?
Sb1 Sb2 Tb2 61.551(16) 13 13 ?
Zn2 Sb2 Tb2 137.527(19) . 13_455 ?
Sb1 Sb2 Tb2 61.551(16) 13_455 13_455 ?
Sb1 Sb2 Tb2 115.12(3) 13 13_455 ?
Tb2 Sb2 Tb2 81.19(2) 13 13_455 ?
Zn2 Sb2 Tb1 60.77(5) . . ?
Sb1 Sb2 Tb1 59.723(17) 13_455 . ?
Sb1 Sb2 Tb1 59.723(17) 13 . ?
Tb2 Sb2 Tb1 121.170(19) 13 . ?
Tb2 Sb2 Tb1 121.170(19) 13_455 . ?
Zn1 Sb3 Tb2 138.466(13) . . ?
Zn1 Sb3 Tb2 138.466(13) . 1_655 ?
Tb2 Sb3 Tb2 83.07(3) . 1_655 ?
Zn1 Sb3 Tb1 68.543(16) . 1_655 ?
Tb2 Sb3 Tb1 135.356(16) . 1_655 ?
Tb2 Sb3 Tb1 80.570(10) 1_655 1_655 ?
Zn1 Sb3 Tb1 68.543(16) . 2 ?
Tb2 Sb3 Tb1 80.570(10) . 2 ?
Tb2 Sb3 Tb1 135.356(16) 1_655 2 ?
Tb1 Sb3 Tb1 137.09(3) 1_655 2 ?
Zn1 Sb3 Tb1 68.543(15) . . ?
Tb2 Sb3 Tb1 80.570(10) . . ?
Tb2 Sb3 Tb1 135.356(16) 1_655 . ?
Tb1 Sb3 Tb1 82.608(14) 1_655 . ?
Tb1 Sb3 Tb1 82.012(15) 2 . ?
Zn1 Sb3 Tb1 68.543(15) . 2_655 ?
Tb2 Sb3 Tb1 135.356(16) . 2_655 ?
Tb2 Sb3 Tb1 80.570(10) 1_655 2_655 ?
Tb1 Sb3 Tb1 82.012(16) 1_655 2_655 ?
Tb1 Sb3 Tb1 82.608(14) 2 2_655 ?
Tb1 Sb3 Tb1 137.09(3) . 2_655 ?
Zn1 Sb4 Zn1 54.5(12) 13 5_454 ?
Zn1 Sb4 Zn2 123.2(2) 13 13_455 ?
Zn1 Sb4 Zn2 123.2(2) 5_454 13_455 ?
Zn1 Sb4 Zn2 123.2(2) 13 13 ?
Zn1 Sb4 Zn2 123.2(2) 5_454 13 ?
Zn2 Sb4 Zn2 104.05(9) 13_455 13 ?
Zn1 Sb4 Sb5B 44.0(3) 13 . ?
Zn1 Sb4 Sb5B 44.0(3) 5_454 . ?
Zn2 Sb4 Sb5B 163.98(10) 13_455 . ?
Zn2 Sb4 Sb5B 91.98(9) 13 . ?
Zn1 Sb4 Sb5B 44.0(3) 13 9_565 ?
Zn1 Sb4 Sb5B 44.0(3) 5_454 9_565 ?
Zn2 Sb4 Sb5B 91.98(9) 13_455 9_565 ?
Zn2 Sb4 Sb5B 163.98(10) 13 9_565 ?
Sb5B Sb4 Sb5B 72.00(16) . 9_565 ?
Zn1 Sb4 Sb5A 48.9(3) 13 . ?
Zn1 Sb4 Sb5A 48.9(3) 5_454 . ?
Zn2 Sb4 Sb5A 170.28(5) 13_455 . ?
Zn2 Sb4 Sb5A 85.67(4) 13 . ?
Sb5B Sb4 Sb5A 6.30(8) . . ?
Sb5B Sb4 Sb5A 78.30(8) 9_565 . ?
Zn1 Sb4 Sb5A 48.9(3) 13 1_455 ?
Zn1 Sb4 Sb5A 48.9(3) 5_454 1_455 ?
Zn2 Sb4 Sb5A 85.67(4) 13_455 1_455 ?
Zn2 Sb4 Sb5A 170.28(5) 13 1_455 ?
Sb5B Sb4 Sb5A 78.30(8) . 1_455 ?
Sb5B Sb4 Sb5A 6.30(8) 9_565 1_455 ?
Sb5A Sb4 Sb5A 84.60(2) . 1_455 ?
Zn1 Sb4 Tb1 65.6(4) 13 13 ?
Zn1 Sb4 Tb1 107.2(5) 5_454 13 ?
Zn2 Sb4 Tb1 122.50(3) 13_455 13 ?
Zn2 Sb4 Tb1 62.87(2) 13 13 ?
Sb5B Sb4 Tb1 64.93(4) . 13 ?
Sb5B Sb4 Tb1 108.47(5) 9_565 13 ?
Sb5A Sb4 Tb1 61.781(10) . 13 ?
Sb5A Sb4 Tb1 112.03(2) 1_455 13 ?
Zn1 Sb4 Tb1 107.2(5) 13 6_454 ?
Zn1 Sb4 Tb1 65.6(4) 5_454 6_454 ?
Zn2 Sb4 Tb1 62.87(2) 13_455 6_454 ?
Zn2 Sb4 Tb1 122.50(3) 13 6_454 ?
Sb5B Sb4 Tb1 108.47(5) . 6_454 ?
Sb5B Sb4 Tb1 64.93(4) 9_565 6_454 ?
Sb5A Sb4 Tb1 112.03(2) . 6_454 ?
Sb5A Sb4 Tb1 61.781(10) 1_455 6_454 ?
Tb1 Sb4 Tb1 172.43(4) 13 6_454 ?
Zn1 Sb4 Tb1 107.2(5) 13 6_554 ?
Zn1 Sb4 Tb1 65.6(4) 5_454 6_554 ?
Zn2 Sb4 Tb1 122.50(3) 13_455 6_554 ?
Zn2 Sb4 Tb1 62.87(2) 13 6_554 ?
Sb5B Sb4 Tb1 64.93(4) . 6_554 ?
Sb5B Sb4 Tb1 108.47(5) 9_565 6_554 ?
Sb5A Sb4 Tb1 61.781(10) . 6_554 ?
Sb5A Sb4 Tb1 112.03(2) 1_455 6_554 ?
Tb1 Sb4 Tb1 101.393(10) 13 6_554 ?
Tb1 Sb4 Tb1 78.097(10) 6_454 6_554 ?
Zn1 Sb4 Tb1 65.6(4) 13 13_455 ?
Zn1 Sb4 Tb1 107.2(5) 5_454 13_455 ?
Zn2 Sb4 Tb1 62.87(2) 13_455 13_455 ?
Zn2 Sb4 Tb1 122.50(3) 13 13_455 ?
Sb5B Sb4 Tb1 108.47(5) . 13_455 ?
Sb5B Sb4 Tb1 64.93(4) 9_565 13_455 ?
Sb5A Sb4 Tb1 112.03(2) . 13_455 ?
Sb5A Sb4 Tb1 61.781(10) 1_455 13_455 ?
Tb1 Sb4 Tb1 78.097(10) 13 13_455 ?
Tb1 Sb4 Tb1 101.393(10) 6_454 13_455 ?
Tb1 Sb4 Tb1 172.43(4) 6_554 13_455 ?
Sb5B Sb5A Zn1 29.5(6) 9_665 13_655 ?
Sb5B Sb5A Zn1 150.5(6) 9_665 5_454 ?
Zn1 Sb5A Zn1 180.000(1) 13_655 5_454 ?
Sb5B Sb5A Zn1 150.5(6) 9_665 13 ?
Zn1 Sb5A Zn1 121.0(13) 13_655 13 ?
Zn1 Sb5A Zn1 59.0(13) 5_454 13 ?
Sb5B Sb5A Zn1 29.5(6) 9_665 5_554 ?
Zn1 Sb5A Zn1 59.0(13) 13_655 5_554 ?
Zn1 Sb5A Zn1 121.0(13) 5_454 5_554 ?
Zn1 Sb5A Zn1 180.000(2) 13 5_554 ?
Sb5B Sb5A Sb4 132.302(12) 9_665 . ?
Zn1 Sb5A Sb4 125.9(3) 13_655 . ?
Zn1 Sb5A Sb4 54.1(3) 5_454 . ?
Zn1 Sb5A Sb4 54.1(3) 13 . ?
Zn1 Sb5A Sb4 125.9(3) 5_554 . ?
Sb5B Sb5A Sb4 47.698(12) 9_665 9_665 ?
Zn1 Sb5A Sb4 54.1(3) 13_655 9_665 ?
Zn1 Sb5A Sb4 125.9(3) 5_454 9_665 ?
Zn1 Sb5A Sb4 125.9(3) 13 9_665 ?
Zn1 Sb5A Sb4 54.1(3) 5_554 9_665 ?
Sb4 Sb5A Sb4 180.0 . 9_665 ?
Sb5B Sb5A Sb4 47.698(12) 9_665 1_655 ?
Zn1 Sb5A Sb4 54.1(3) 13_655 1_655 ?
Zn1 Sb5A Sb4 125.9(3) 5_454 1_655 ?
Zn1 Sb5A Sb4 125.9(3) 13 1_655 ?
Zn1 Sb5A Sb4 54.1(3) 5_554 1_655 ?
Sb4 Sb5A Sb4 84.60(2) . 1_655 ?
Sb4 Sb5A Sb4 95.40(2) 9_665 1_655 ?
Sb5B Sb5A Sb4 132.302(12) 9_665 9_565 ?
Zn1 Sb5A Sb4 125.9(3) 13_655 9_565 ?
Zn1 Sb5A Sb4 54.1(3) 5_454 9_565 ?
Zn1 Sb5A Sb4 54.1(3) 13 9_565 ?
Zn1 Sb5A Sb4 125.9(3) 5_554 9_565 ?
Sb4 Sb5A Sb4 95.40(2) . 9_565 ?
Sb4 Sb5A Sb4 84.60(2) 9_665 9_565 ?
Sb4 Sb5A Sb4 180.0 1_655 9_565 ?
Sb5B Sb5A Tb1 90.0 9_665 14 ?
Zn1 Sb5A Tb1 67.5(5) 13_655 14 ?
Zn1 Sb5A Tb1 112.5(5) 5_454 14 ?
Zn1 Sb5A Tb1 67.5(5) 13 14 ?
Zn1 Sb5A Tb1 112.5(5) 5_554 14 ?
Sb4 Sb5A Tb1 117.728(7) . 14 ?
Sb4 Sb5A Tb1 62.272(7) 9_665 14 ?
Sb4 Sb5A Tb1 117.728(7) 1_655 14 ?
Sb4 Sb5A Tb1 62.272(7) 9_565 14 ?
Sb5B Sb5A Tb1 90.0 9_665 6_554 ?
Zn1 Sb5A Tb1 112.5(5) 13_655 6_554 ?
Zn1 Sb5A Tb1 67.5(5) 5_454 6_554 ?
Zn1 Sb5A Tb1 112.5(5) 13 6_554 ?
Zn1 Sb5A Tb1 67.5(5) 5_554 6_554 ?
Sb4 Sb5A Tb1 62.272(7) . 6_554 ?
Sb4 Sb5A Tb1 117.728(7) 9_665 6_554 ?
Sb4 Sb5A Tb1 62.272(7) 1_655 6_554 ?
Sb4 Sb5A Tb1 117.728(7) 9_565 6_554 ?
Tb1 Sb5A Tb1 180.000(9) 14 6_554 ?
Sb5B Sb5A Tb1 90.0 9_665 5_554 ?
Zn1 Sb5A Tb1 112.5(5) 13_655 5_554 ?
Zn1 Sb5A Tb1 67.5(5) 5_454 5_554 ?
Zn1 Sb5A Tb1 112.5(5) 13 5_554 ?
Zn1 Sb5A Tb1 67.5(5) 5_554 5_554 ?
Sb4 Sb5A Tb1 117.728(7) . 5_554 ?
Sb4 Sb5A Tb1 62.272(7) 9_665 5_554 ?
Sb4 Sb5A Tb1 117.728(7) 1_655 5_554 ?
Sb4 Sb5A Tb1 62.272(7) 9_565 5_554 ?
Tb1 Sb5A Tb1 102.034(15) 14 5_554 ?
Tb1 Sb5A Tb1 77.966(15) 6_554 5_554 ?
Sb5B Sb5B Zn1 144.7(7) 9_665 5_454 ?
Sb5B Sb5B Zn1 144.7(7) 9_665 13 ?
Zn1 Sb5B Zn1 70.6(14) 5_454 13 ?
Sb5B Sb5B Zn1 25.2(6) 9_665 13_655 ?
Zn1 Sb5B Zn1 169.89(18) 5_454 13_655 ?
Zn1 Sb5B Zn1 119.5(13) 13 13_655 ?
Sb5B Sb5B Zn1 25.2(6) 9_665 5_554 ?
Zn1 Sb5B Zn1 119.5(13) 5_454 5_554 ?
Zn1 Sb5B Zn1 169.89(18) 13 5_554 ?
Zn1 Sb5B Zn1 50.4(12) 13_655 5_554 ?
Sb5B Sb5B Sb4 126.00(8) 9_665 . ?
Zn1 Sb5B Sb4 61.3(3) 5_454 . ?
Zn1 Sb5B Sb4 61.3(3) 13 . ?
Zn1 Sb5B Sb4 122.13(18) 13_655 . ?
Zn1 Sb5B Sb4 122.13(18) 5_554 . ?
Sb5B Sb5B Sb4 126.00(8) 9_665 9_565 ?
Zn1 Sb5B Sb4 61.3(3) 5_454 9_565 ?
Zn1 Sb5B Sb4 61.3(3) 13 9_565 ?
Zn1 Sb5B Sb4 122.13(18) 13_655 9_565 ?
Zn1 Sb5B Sb4 122.13(18) 5_554 9_565 ?
Sb4 Sb5B Sb4 108.00(16) . 9_565 ?
Sb5B Sb5B Tb1 82.73(8) 9_665 14 ?
Zn1 Sb5B Tb1 123.3(5) 5_454 14 ?
Zn1 Sb5B Tb1 70.0(5) 13 14 ?
Zn1 Sb5B Tb1 63.7(4) 13_655 14 ?
Zn1 Sb5B Tb1 102.3(5) 5_554 14 ?
Sb4 Sb5B Tb1 125.40(8) . 14 ?
Sb4 Sb5B Tb1 64.50(2) 9_565 14 ?
Sb5B Sb5B Tb1 82.73(8) 9_665 6_554 ?
Zn1 Sb5B Tb1 70.0(5) 5_454 6_554 ?
Zn1 Sb5B Tb1 123.3(5) 13 6_554 ?
Zn1 Sb5B Tb1 102.3(5) 13_655 6_554 ?
Zn1 Sb5B Tb1 63.7(4) 5_554 6_554 ?
Sb4 Sb5B Tb1 64.50(2) . 6_554 ?
Sb4 Sb5B Tb1 125.40(8) 9_565 6_554 ?
Tb1 Sb5B Tb1 165.46(17) 14 6_554 ?
Sb5B Sb5B Tb1 82.73(8) 9_665 5_554 ?
Zn1 Sb5B Tb1 70.0(5) 5_454 5_554 ?
Zn1 Sb5B Tb1 123.3(5) 13 5_554 ?
Zn1 Sb5B Tb1 102.3(5) 13_655 5_554 ?
Zn1 Sb5B Tb1 63.7(4) 5_554 5_554 ?
Sb4 Sb5B Tb1 125.40(8) . 5_554 ?
Sb4 Sb5B Tb1 64.50(2) 9_565 5_554 ?
Tb1 Sb5B Tb1 100.90(3) 14 5_554 ?
Tb1 Sb5B Tb1 77.22(2) 6_554 5_554 ?
Sb5B Sb5B Tb1 82.73(8) 9_665 13 ?
Zn1 Sb5B Tb1 123.3(5) 5_454 13 ?
Zn1 Sb5B Tb1 70.0(5) 13 13 ?
Zn1 Sb5B Tb1 63.7(4) 13_655 13 ?
Zn1 Sb5B Tb1 102.3(5) 5_554 13 ?
Sb4 Sb5B Tb1 64.50(2) . 13 ?
Sb4 Sb5B Tb1 125.40(8) 9_565 13 ?
Tb1 Sb5B Tb1 77.22(2) 14 13 ?
Tb1 Sb5B Tb1 100.90(3) 6_554 13 ?
Tb1 Sb5B Tb1 165.46(17) 5_554 13 ?
Sb5B Sb5B Sb5B 180.0 9_665 9_565 ?
Zn1 Sb5B Sb5B 35.3(7) 5_454 9_565 ?
Zn1 Sb5B Sb5B 35.3(7) 13 9_565 ?
Zn1 Sb5B Sb5B 154.8(6) 13_655 9_565 ?
Zn1 Sb5B Sb5B 154.8(6) 5_554 9_565 ?
Sb4 Sb5B Sb5B 54.00(8) . 9_565 ?
Sb4 Sb5B Sb5B 54.00(8) 9_565 9_565 ?
Tb1 Sb5B Sb5B 97.27(8) 14 9_565 ?
Tb1 Sb5B Sb5B 97.27(8) 6_554 9_565 ?
Tb1 Sb5B Sb5B 97.27(8) 5_554 9_565 ?
Tb1 Sb5B Sb5B 97.27(8) 13 9_565 ?
Tb2 Sb6 Tb2 180.0 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
Tb1 Zn2 3.1363(15) . ?
Tb1 Sb3 3.1381(4) 1_455 ?
Tb1 Sb3 3.1381(4) . ?
Tb1 Zn1 3.227(13) 1_455 ?
Tb1 Zn1 3.227(13) . ?
Tb1 Sb1 3.2548(5) 13 ?
Tb1 Sb1 3.2548(5) 13_455 ?
Tb1 Sb5A 3.2730(4) 5_445 ?
Tb1 Sb1 3.2864(7) . ?
Tb1 Sb4 3.2879(3) 13 ?
Tb1 Sb4 3.2879(3) 13_455 ?
Tb1 Sb5B 3.2995(8) 13 ?
Tb2 Sb3 3.1238(8) . ?
Tb2 Sb3 3.1238(8) 1_455 ?
Tb2 Sb1 3.1641(6) . ?
Tb2 Sb1 3.1641(6) 2 ?
Tb2 Sb2 3.1831(7) 14_445 ?
Tb2 Sb2 3.1831(7) 13 ?
Tb2 Sb2 3.1831(7) 14_545 ?
Tb2 Sb2 3.1831(7) 13_455 ?
Tb2 Sb6 3.3004(6) . ?
Zn1 Sb5B 2.026(18) 5_545 ?
Zn1 Sb5B 2.026(18) 13 ?
Zn1 Zn1 2.34(6) 9_656 ?
Zn1 Sb5A 2.379(15) 5_545 ?
Zn1 Sb5A 2.379(15) 5_445 ?
Zn1 Sb3 2.52(3) . ?
Zn1 Sb4 2.560(14) 13 ?
Zn1 Sb4 2.560(14) 5_545 ?
Zn1 Sb5B 2.751(14) 13_655 ?
Zn1 Sb5B 2.751(14) 5_445 ?
Zn1 Tb1 3.227(13) 2 ?
Zn1 Tb1 3.227(13) 1_655 ?
Zn2 Sb2 2.4608(18) 10_556 ?
Zn2 Sb2 2.4608(18) . ?
Zn2 Sb4 2.6277(16) 13_455 ?
Zn2 Sb4 2.6277(16) 13 ?
Zn2 Tb1 3.1363(15) 10_556 ?
Sb1 Sb2 2.9924(7) 13_455 ?
Sb1 Sb2 2.9924(7) 13 ?
Sb1 Sb1 3.0793(9) 13 ?
Sb1 Sb1 3.0793(9) 13_455 ?
Sb1 Tb1 3.2548(5) 13 ?
Sb1 Tb1 3.2548(5) 13_455 ?
Sb2 Sb1 2.9924(7) 13_455 ?
Sb2 Sb1 2.9924(7) 13 ?
Sb2 Tb2 3.1831(7) 13 ?
Sb2 Tb2 3.1831(7) 13_455 ?
Sb3 Tb2 3.1238(8) 1_655 ?
Sb3 Tb1 3.1381(4) 1_655 ?
Sb3 Tb1 3.1381(4) 2 ?
Sb3 Tb1 3.1381(4) 2_655 ?
Sb4 Zn1 2.560(14) 13 ?
Sb4 Zn1 2.560(14) 5_454 ?
Sb4 Zn2 2.6277(16) 13_455 ?
Sb4 Zn2 2.6277(16) 13 ?
Sb4 Sb5B 2.813(3) . ?
Sb4 Sb5B 2.813(3) 9_565 ?
Sb4 Sb5A 3.0775(7) . ?
Sb4 Sb5A 3.0775(7) 1_455 ?
Sb4 Tb1 3.2879(3) 13 ?
Sb4 Tb1 3.2879(3) 6_454 ?
Sb4 Tb1 3.2879(3) 6_554 ?
Sb4 Tb1 3.2879(3) 13_455 ?
Sb5A Sb5B 0.418(5) 9_665 ?
Sb5A Zn1 2.379(15) 13_655 ?
Sb5A Zn1 2.379(15) 5_454 ?
Sb5A Zn1 2.379(15) 13 ?
Sb5A Zn1 2.379(15) 5_554 ?
Sb5A Sb4 3.0775(7) 9_665 ?
Sb5A Sb4 3.0775(7) 1_655 ?
Sb5A Sb4 3.0775(7) 9_565 ?
Sb5A Tb1 3.2730(4) 14 ?
Sb5A Tb1 3.2730(4) 6_554 ?
Sb5A Tb1 3.2730(4) 5_554 ?
Sb5B Sb5B 0.835(10) 9_665 ?
Sb5B Zn1 2.026(18) 5_454 ?
Sb5B Zn1 2.026(18) 13 ?
Sb5B Zn1 2.751(14) 13_655 ?
Sb5B Zn1 2.751(14) 5_554 ?
Sb5B Sb4 2.813(3) 9_565 ?
Sb5B Tb1 3.2995(7) 14 ?
Sb5B Tb1 3.2995(7) 6_554 ?
Sb5B Tb1 3.2995(7) 5_554 ?
Sb5B Tb1 3.2995(7) 13 ?
Sb5B Sb5B 3.307(10) 9_565 ?
Sb6 Tb2 3.3004(6) 9 ?
