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#$Date: 2016-03-23 00:06:12 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179093 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/55/4305532.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_4305532
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     'Ho6 Zn1.13 Sb14'
_chemical_formula_sum            'Ho6 Sb14 Zn1.13'
_chemical_formula_weight         2768.27
_chemical_name_common            'holmium zinc antimonide (6/1/14)'
_chemical_name_systematic        'holmium 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                   4.1050(4)
_cell_length_b                   14.7250(16)
_cell_length_c                   18.562(2)
_cell_measurement_reflns_used    1438
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      30.17
_cell_measurement_theta_min      4.30
_cell_volume                     1122.0(2)
_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 0.961
_diffrn_measured_fraction_theta_max 0.961
_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  0.0664
_diffrn_reflns_av_sigmaI/netI    0.0437
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            7027
_diffrn_reflns_theta_full        33.07
_diffrn_reflns_theta_max         33.07
_diffrn_reflns_theta_min         1.77
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    38.561
_exptl_absorpt_correction_T_max  0.4751
_exptl_absorpt_correction_T_min  0.0946
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SHELXTL 6.12 (Sheldrick, 2001)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    8.194
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2300
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.450
_refine_diff_density_min         -5.929
_refine_diff_density_rms         0.958
_refine_ls_extinction_coef       0.00231(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_matrix_type           full
_refine_ls_number_parameters     47
_refine_ls_number_reflns         1217
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0350
_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)+(0.0375P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0707
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                983
_reflns_number_total             1217
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic800524d_si_003_1.cif
_cod_data_source_block           Ho6ZnSb14
_cod_database_code               4305532
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
Ho1 Ho 0.0000 0.13835(3) 0.36396(2) 0.01041(13) Uani 1 2 d S . .
Ho2 Ho 0.0000 0.0000 0.17708(4) 0.01224(16) Uani 1 4 d S . .
Zn1 Zn 0.5000 0.0000 0.442(3) 0.030(15) Uiso 0.043(8) 4 d SP . .
Zn2 Zn 0.0000 0.2611(2) 0.5000 0.0145(9) Uani 0.525(7) 4 d SP . .
Sb1 Sb 0.0000 0.21101(4) 0.19730(4) 0.01110(15) Uani 1 2 d S . .
Sb2 Sb 0.0000 0.36693(6) 0.40163(5) 0.02416(19) Uani 1 2 d S . .
Sb3 Sb 0.5000 0.0000 0.30210(5) 0.00995(18) Uani 1 4 d S . .
Sb4 Sb 0.0000 0.34562(7) 0.0000 0.0146(2) Uani 1 4 d S . .
Sb5A Sb 0.5000 0.5000 0.0000 0.0111(5) Uiso 0.252(19) 8 d SP . .
Sb5B Sb 0.4103(18) 0.5000 0.0000 0.0111(5) Uiso 0.375(10) 4 d SP . .
Sb6 Sb 0.0000 0.0000 0.0000 0.0267(4) 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'
Ho Ho -0.2175 4.6783 '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 Ho1 Sb3 132.94(3) . 1_455 ?
Zn2 Ho1 Sb3 132.94(3) . . ?
Sb3 Ho1 Sb3 82.547(17) 1_455 . ?
Zn2 Ho1 Sb1 83.48(4) . 13 ?
Sb3 Ho1 Sb1 137.66(3) 1_455 13 ?
Sb3 Ho1 Sb1 84.289(14) . 13 ?
Zn2 Ho1 Sb1 83.48(4) . 13_455 ?
Sb3 Ho1 Sb1 84.289(14) 1_455 13_455 ?
Sb3 Ho1 Sb1 137.66(3) . 13_455 ?
Sb1 Ho1 Sb1 78.937(18) 13 13_455 ?
Zn2 Ho1 Zn1 90.2(8) . 1_455 ?
Sb3 Ho1 Zn1 48.2(9) 1_455 1_455 ?
Sb3 Ho1 Zn1 99.9(3) . 1_455 ?
Sb1 Ho1 Zn1 173.7(8) 13 1_455 ?
Sb1 Ho1 Zn1 100.8(3) 13_455 1_455 ?
Zn2 Ho1 Zn1 90.2(8) . . ?
Sb3 Ho1 Zn1 99.9(3) 1_455 . ?
Sb3 Ho1 Zn1 48.2(9) . . ?
Sb1 Ho1 Zn1 100.8(3) 13 . ?
Sb1 Ho1 Zn1 173.7(8) 13_455 . ?
Zn1 Ho1 Zn1 78.8(7) 1_455 . ?
Zn2 Ho1 Sb5A 74.49(5) . 5_445 ?
Sb3 Ho1 Sb5A 82.884(18) 1_455 5_445 ?
Sb3 Ho1 Sb5A 82.884(18) . 5_445 ?
Sb1 Ho1 Sb5A 134.865(13) 13 5_445 ?
Sb1 Ho1 Sb5A 134.865(13) 13_455 5_445 ?
Zn1 Ho1 Sb5A 42.0(7) 1_455 5_445 ?
Zn1 Ho1 Sb5A 42.0(7) . 5_445 ?
Zn2 Ho1 Sb4 47.82(3) . 13 ?
Sb3 Ho1 Sb4 138.41(3) 1_455 13 ?
Sb3 Ho1 Sb4 85.30(2) . 13 ?
Sb1 Ho1 Sb4 79.805(17) 13 13 ?
Sb1 Ho1 Sb4 128.52(2) 13_455 13 ?
Zn1 Ho1 Sb4 95.7(8) 1_455 13 ?
Zn1 Ho1 Sb4 45.6(6) . 13 ?
Sb5A Ho1 Sb4 56.154(16) 5_445 13 ?
Zn2 Ho1 Sb4 47.82(3) . 13_455 ?
Sb3 Ho1 Sb4 85.30(2) 1_455 13_455 ?
Sb3 Ho1 Sb4 138.41(2) . 13_455 ?
Sb1 Ho1 Sb4 128.52(2) 13 13_455 ?
Sb1 Ho1 Sb4 79.805(17) 13_455 13_455 ?
Zn1 Ho1 Sb4 45.6(6) 1_455 13_455 ?
Zn1 Ho1 Sb4 95.7(8) . 13_455 ?
Sb5A Ho1 Sb4 56.154(16) 5_445 13_455 ?
Sb4 Ho1 Sb4 77.965(13) 13 13_455 ?
Zn2 Ho1 Sb5B 74.59(5) . 13 ?
Sb3 Ho1 Sb5B 87.21(9) 1_455 13 ?
Sb3 Ho1 Sb5B 78.61(9) . 13 ?
Sb1 Ho1 Sb5B 128.99(12) 13 13 ?
Sb1 Ho1 Sb5B 140.59(11) 13_455 13 ?
Zn1 Ho1 Sb5B 48.1(6) 1_455 13 ?
Zn1 Ho1 Sb5B 35.9(7) . 13 ?
Sb5A Ho1 Sb5B 6.48(13) 5_445 13 ?
Sb4 Ho1 Sb5B 51.36(9) 13 13 ?
Sb4 Ho1 Sb5B 61.15(10) 13_455 13 ?
Zn2 Ho1 Sb5B 74.59(5) . 5_445 ?
Sb3 Ho1 Sb5B 78.61(9) 1_455 5_445 ?
Sb3 Ho1 Sb5B 87.21(9) . 5_445 ?
Sb1 Ho1 Sb5B 140.59(11) 13 5_445 ?
Sb1 Ho1 Sb5B 128.99(12) 13_455 5_445 ?
Zn1 Ho1 Sb5B 35.9(7) 1_455 5_445 ?
Zn1 Ho1 Sb5B 48.1(7) . 5_445 ?
Sb5A Ho1 Sb5B 6.48(13) 5_445 5_445 ?
Sb4 Ho1 Sb5B 61.15(10) 13 5_445 ?
Sb4 Ho1 Sb5B 51.36(9) 13_455 5_445 ?
Sb5B Ho1 Sb5B 13.0(3) 13 5_445 ?
Sb3 Ho2 Sb3 82.98(3) . 1_455 ?
Sb3 Ho2 Sb1 84.847(14) . . ?
Sb3 Ho2 Sb1 84.847(13) 1_455 . ?
Sb3 Ho2 Sb1 84.847(14) . 2 ?
Sb3 Ho2 Sb1 84.847(14) 1_455 2 ?
Sb1 Ho2 Sb1 166.23(3) . 2 ?
Sb3 Ho2 Sb2 140.258(17) . 14_445 ?
Sb3 Ho2 Sb2 85.232(17) 1_455 14_445 ?
Sb1 Ho2 Sb2 131.636(17) . 14_445 ?
Sb1 Ho2 Sb2 56.316(15) 2 14_445 ?
Sb3 Ho2 Sb2 85.232(17) . 13 ?
Sb3 Ho2 Sb2 140.258(17) 1_455 13 ?
Sb1 Ho2 Sb2 56.316(15) . 13 ?
Sb1 Ho2 Sb2 131.636(17) 2 13 ?
Sb2 Ho2 Sb2 125.51(4) 14_445 13 ?
Sb3 Ho2 Sb2 85.232(17) . 14_545 ?
Sb3 Ho2 Sb2 140.258(17) 1_455 14_545 ?
Sb1 Ho2 Sb2 131.636(17) . 14_545 ?
Sb1 Ho2 Sb2 56.316(15) 2 14_545 ?
Sb2 Ho2 Sb2 80.04(2) 14_445 14_545 ?
Sb2 Ho2 Sb2 75.75(3) 13 14_545 ?
Sb3 Ho2 Sb2 140.258(17) . 13_455 ?
Sb3 Ho2 Sb2 85.232(17) 1_455 13_455 ?
Sb1 Ho2 Sb2 56.316(15) . 13_455 ?
Sb1 Ho2 Sb2 131.636(17) 2 13_455 ?
Sb2 Ho2 Sb2 75.75(3) 14_445 13_455 ?
Sb2 Ho2 Sb2 80.04(2) 13 13_455 ?
Sb2 Ho2 Sb2 125.51(4) 14_545 13_455 ?
Sb3 Ho2 Sb6 138.509(14) . . ?
Sb3 Ho2 Sb6 138.509(14) 1_455 . ?
Sb1 Ho2 Sb6 96.887(17) . . ?
Sb1 Ho2 Sb6 96.887(17) 2 . ?
Sb2 Ho2 Sb6 62.756(18) 14_445 . ?
Sb2 Ho2 Sb6 62.756(18) 13 . ?
Sb2 Ho2 Sb6 62.756(18) 14_545 . ?
Sb2 Ho2 Sb6 62.756(18) 13_455 . ?
Sb5B Zn1 Sb5B 115(3) 5_545 13 ?
Sb5B Zn1 Zn1 57.3(14) 5_545 9_656 ?
Sb5B Zn1 Zn1 57.3(14) 13 9_656 ?
Sb5B Zn1 Sb5A 4.92(17) 5_545 5_545 ?
Sb5B Zn1 Sb5A 120(3) 13 5_545 ?
Zn1 Zn1 Sb5A 62.3(12) 9_656 5_545 ?
Sb5B Zn1 Sb5A 120(3) 5_545 5_445 ?
Sb5B Zn1 Sb5A 4.92(17) 13 5_445 ?
Zn1 Zn1 Sb5A 62.3(12) 9_656 5_445 ?
Sb5A Zn1 Sb5A 125(2) 5_545 5_445 ?
Sb5B Zn1 Sb4 76.6(11) 5_545 13 ?
Sb5B Zn1 Sb4 76.6(11) 13 13 ?
Zn1 Zn1 Sb4 64.6(12) 9_656 13 ?
Sb5A Zn1 Sb4 78.5(10) 5_545 13 ?
Sb5A Zn1 Sb4 78.5(10) 5_445 13 ?
Sb5B Zn1 Sb4 76.6(11) 5_545 5_545 ?
Sb5B Zn1 Sb4 76.6(11) 13 5_545 ?
Zn1 Zn1 Sb4 64.6(12) 9_656 5_545 ?
Sb5A Zn1 Sb4 78.5(10) 5_545 5_545 ?
Sb5A Zn1 Sb4 78.5(10) 5_445 5_545 ?
Sb4 Zn1 Sb4 129(2) 13 5_545 ?
Sb5B Zn1 Sb3 122.7(14) 5_545 . ?
Sb5B Zn1 Sb3 122.7(14) 13 . ?
Zn1 Zn1 Sb3 180.000(4) 9_656 . ?
Sb5A Zn1 Sb3 117.7(12) 5_545 . ?
Sb5A Zn1 Sb3 117.7(12) 5_445 . ?
Sb4 Zn1 Sb3 115.4(12) 13 . ?
Sb4 Zn1 Sb3 115.4(12) 5_545 . ?
Sb5B Zn1 Sb5B 8.6(3) 5_545 13_655 ?
Sb5B Zn1 Sb5B 123(2) 13 13_655 ?
Zn1 Zn1 Sb5B 66.0(11) 9_656 13_655 ?
Sb5A Zn1 Sb5B 3.71(14) 5_545 13_655 ?
Sb5A Zn1 Sb5B 128(2) 5_445 13_655 ?
Sb4 Zn1 Sb5B 79.9(9) 13 13_655 ?
Sb4 Zn1 Sb5B 79.9(9) 5_545 13_655 ?
Sb3 Zn1 Sb5B 114.0(11) . 13_655 ?
Sb5B Zn1 Sb5B 123(2) 5_545 5_445 ?
Sb5B Zn1 Sb5B 8.6(3) 13 5_445 ?
Zn1 Zn1 Sb5B 66.0(11) 9_656 5_445 ?
Sb5A Zn1 Sb5B 128(2) 5_545 5_445 ?
Sb5A Zn1 Sb5B 3.71(14) 5_445 5_445 ?
Sb4 Zn1 Sb5B 79.9(9) 13 5_445 ?
Sb4 Zn1 Sb5B 79.9(9) 5_545 5_445 ?
Sb3 Zn1 Sb5B 114.0(11) . 5_445 ?
Sb5B Zn1 Sb5B 132(2) 13_655 5_445 ?
Sb5B Zn1 Ho1 140.9(2) 5_545 2 ?
Sb5B Zn1 Ho1 73.0(3) 13 2 ?
Zn1 Zn1 Ho1 116.6(9) 9_656 2 ?
Sb5A Zn1 Ho1 140.355(11) 5_545 2 ?
Sb5A Zn1 Ho1 69.3(2) 5_445 2 ?
Sb4 Zn1 Ho1 139.55(11) 13 2 ?
Sb4 Zn1 Ho1 67.8(2) 5_545 2 ?
Sb3 Zn1 Ho1 63.4(9) . 2 ?
Sb5B Zn1 Ho1 139.63(16) 13_655 2 ?
Sb5B Zn1 Ho1 66.57(18) 5_445 2 ?
Sb5B Zn1 Ho1 73.0(3) 5_545 1_655 ?
Sb5B Zn1 Ho1 140.9(2) 13 1_655 ?
Zn1 Zn1 Ho1 116.6(9) 9_656 1_655 ?
Sb5A Zn1 Ho1 69.3(2) 5_545 1_655 ?
Sb5A Zn1 Ho1 140.355(11) 5_445 1_655 ?
Sb4 Zn1 Ho1 67.8(2) 13 1_655 ?
Sb4 Zn1 Ho1 139.55(11) 5_545 1_655 ?
Sb3 Zn1 Ho1 63.4(9) . 1_655 ?
Sb5B Zn1 Ho1 66.57(18) 13_655 1_655 ?
Sb5B Zn1 Ho1 139.63(16) 5_445 1_655 ?
Ho1 Zn1 Ho1 126.9(18) 2 1_655 ?
Sb2 Zn2 Sb2 99.05(12) 10_556 . ?
Sb2 Zn2 Sb4 113.243(14) 10_556 13_455 ?
Sb2 Zn2 Sb4 113.243(14) . 13_455 ?
Sb2 Zn2 Sb4 113.243(14) 10_556 13 ?
Sb2 Zn2 Sb4 113.243(14) . 13 ?
Sb4 Zn2 Sb4 105.12(11) 13_455 13 ?
Sb2 Zn2 Ho1 175.12(10) 10_556 . ?
Sb2 Zn2 Ho1 76.07(2) . . ?
Sb4 Zn2 Ho1 69.28(5) 13_455 . ?
Sb4 Zn2 Ho1 69.28(5) 13 . ?
Sb2 Zn2 Ho1 76.07(2) 10_556 10_556 ?
Sb2 Zn2 Ho1 175.12(10) . 10_556 ?
Sb4 Zn2 Ho1 69.28(5) 13_455 10_556 ?
Sb4 Zn2 Ho1 69.28(5) 13 10_556 ?
Ho1 Zn2 Ho1 108.81(9) . 10_556 ?
Sb2 Sb1 Sb2 86.93(3) 13_455 13 ?
Sb2 Sb1 Sb1 178.23(3) 13_455 13 ?
Sb2 Sb1 Sb1 94.384(15) 13 13 ?
Sb2 Sb1 Sb1 94.384(15) 13_455 13_455 ?
Sb2 Sb1 Sb1 178.23(3) 13 13_455 ?
Sb1 Sb1 Sb1 84.28(3) 13 13_455 ?
Sb2 Sb1 Ho2 62.89(2) 13_455 . ?
Sb2 Sb1 Ho2 62.89(2) 13 . ?
Sb1 Sb1 Ho2 116.70(3) 13 . ?
Sb1 Sb1 Ho2 116.70(3) 13_455 . ?
Sb2 Sb1 Ho1 119.00(3) 13_455 13 ?
Sb2 Sb1 Ho1 67.06(2) 13 13 ?
Sb1 Sb1 Ho1 62.672(19) 13 13 ?
Sb1 Sb1 Ho1 113.20(3) 13_455 13 ?
Ho2 Sb1 Ho1 129.775(17) . 13 ?
Sb2 Sb1 Ho1 67.06(2) 13_455 13_455 ?
Sb2 Sb1 Ho1 119.00(3) 13 13_455 ?
Sb1 Sb1 Ho1 113.20(3) 13 13_455 ?
Sb1 Sb1 Ho1 62.672(19) 13_455 13_455 ?
Ho2 Sb1 Ho1 129.775(17) . 13_455 ?
Ho1 Sb1 Ho1 78.937(18) 13 13_455 ?
Sb2 Sb1 Ho1 117.13(2) 13_455 . ?
Sb2 Sb1 Ho1 117.13(2) 13 . ?
Sb1 Sb1 Ho1 61.20(2) 13 . ?
Sb1 Sb1 Ho1 61.20(2) 13_455 . ?
Ho2 Sb1 Ho1 77.81(2) . . ?
Ho1 Sb1 Ho1 123.875(17) 13 . ?
Ho1 Sb1 Ho1 123.875(17) 13_455 . ?
Zn2 Sb2 Sb1 102.62(5) . 13_455 ?
Zn2 Sb2 Sb1 102.62(5) . 13 ?
Sb1 Sb2 Sb1 86.93(3) 13_455 13 ?
Zn2 Sb2 Ho2 138.31(2) . 13 ?
Sb1 Sb2 Ho2 113.38(3) 13_455 13 ?
Sb1 Sb2 Ho2 60.792(18) 13 13 ?
Zn2 Sb2 Ho2 138.31(2) . 13_455 ?
Sb1 Sb2 Ho2 60.792(18) 13_455 13_455 ?
Sb1 Sb2 Ho2 113.38(3) 13 13_455 ?
Ho2 Sb2 Ho2 80.04(2) 13 13_455 ?
Zn2 Sb2 Ho1 61.26(6) . . ?
Sb1 Sb2 Ho1 59.881(19) 13_455 . ?
Sb1 Sb2 Ho1 59.881(19) 13 . ?
Ho2 Sb2 Ho1 120.53(2) 13 . ?
Ho2 Sb2 Ho1 120.53(2) 13_455 . ?
Zn1 Sb3 Ho2 138.509(14) . . ?
Zn1 Sb3 Ho2 138.509(14) . 1_655 ?
Ho2 Sb3 Ho2 82.98(3) . 1_655 ?
Zn1 Sb3 Ho1 68.344(18) . 1_655 ?
Ho2 Sb3 Ho1 135.516(18) . 1_655 ?
Ho2 Sb3 Ho1 80.759(12) 1_655 1_655 ?
Zn1 Sb3 Ho1 68.344(18) . 2 ?
Ho2 Sb3 Ho1 80.759(12) . 2 ?
Ho2 Sb3 Ho1 135.516(18) 1_655 2 ?
Ho1 Sb3 Ho1 136.69(4) 1_655 2 ?
Zn1 Sb3 Ho1 68.344(18) . 2_655 ?
Ho2 Sb3 Ho1 135.516(18) . 2_655 ?
Ho2 Sb3 Ho1 80.759(12) 1_655 2_655 ?
Ho1 Sb3 Ho1 81.798(18) 1_655 2_655 ?
Ho1 Sb3 Ho1 82.547(17) 2 2_655 ?
Zn1 Sb3 Ho1 68.344(18) . . ?
Ho2 Sb3 Ho1 80.759(12) . . ?
Ho2 Sb3 Ho1 135.516(18) 1_655 . ?
Ho1 Sb3 Ho1 82.547(17) 1_655 . ?
Ho1 Sb3 Ho1 81.798(18) 2 . ?
Ho1 Sb3 Ho1 136.69(4) 2_655 . ?
Zn1 Sb4 Zn1 51(2) 13 5_454 ?
Zn1 Sb4 Zn2 123.3(4) 13 13_455 ?
Zn1 Sb4 Zn2 123.3(4) 5_454 13_455 ?
Zn1 Sb4 Zn2 123.3(4) 13 13 ?
Zn1 Sb4 Zn2 123.3(4) 5_454 13 ?
Zn2 Sb4 Zn2 105.12(11) 13_455 13 ?
Zn1 Sb4 Sb5B 43.5(6) 13 . ?
Zn1 Sb4 Sb5B 43.5(6) 5_454 . ?
Zn2 Sb4 Sb5B 163.98(13) 13_455 . ?
Zn2 Sb4 Sb5B 90.91(13) 13 . ?
Zn1 Sb4 Sb5B 43.5(6) 13 9_565 ?
Zn1 Sb4 Sb5B 43.5(6) 5_454 9_565 ?
Zn2 Sb4 Sb5B 90.91(13) 13_455 9_565 ?
Zn2 Sb4 Sb5B 163.98(13) 13 9_565 ?
Sb5B Sb4 Sb5B 73.1(2) . 9_565 ?
Zn1 Sb4 Sb5A 47.9(5) 13 . ?
Zn1 Sb4 Sb5A 47.9(5) 5_454 . ?
Zn2 Sb4 Sb5A 169.52(6) 13_455 . ?
Zn2 Sb4 Sb5A 85.36(6) 13 . ?
Sb5B Sb4 Sb5A 5.55(12) . . ?
Sb5B Sb4 Sb5A 78.61(12) 9_565 . ?
Zn1 Sb4 Sb5A 47.9(5) 13 1_455 ?
Zn1 Sb4 Sb5A 47.9(5) 5_454 1_455 ?
Zn2 Sb4 Sb5A 85.36(6) 13_455 1_455 ?
Zn2 Sb4 Sb5A 169.52(6) 13 1_455 ?
Sb5B Sb4 Sb5A 78.61(12) . 1_455 ?
Sb5B Sb4 Sb5A 5.55(12) 9_565 1_455 ?
Sb5A Sb4 Sb5A 84.16(3) . 1_455 ?
Zn1 Sb4 Ho1 66.6(8) 13 13 ?
Zn1 Sb4 Ho1 105.5(9) 5_454 13 ?
Zn2 Sb4 Ho1 122.92(3) 13_455 13 ?
Zn2 Sb4 Ho1 62.90(3) 13 13 ?
Sb5B Sb4 Ho1 64.37(6) . 13 ?
Sb5B Sb4 Ho1 108.44(7) 9_565 13 ?
Sb5A Sb4 Ho1 61.623(11) . 13 ?
Sb5A Sb4 Ho1 111.59(2) 1_455 13 ?
Zn1 Sb4 Ho1 105.5(9) 13 6_454 ?
Zn1 Sb4 Ho1 66.6(8) 5_454 6_454 ?
Zn2 Sb4 Ho1 62.90(3) 13_455 6_454 ?
Zn2 Sb4 Ho1 122.92(3) 13 6_454 ?
Sb5B Sb4 Ho1 108.44(7) . 6_454 ?
Sb5B Sb4 Ho1 64.37(6) 9_565 6_454 ?
Sb5A Sb4 Ho1 111.59(2) . 6_454 ?
Sb5A Sb4 Ho1 61.623(11) 1_455 6_454 ?
Ho1 Sb4 Ho1 171.70(4) 13 6_454 ?
Zn1 Sb4 Ho1 105.5(9) 13 6_554 ?
Zn1 Sb4 Ho1 66.6(8) 5_454 6_554 ?
Zn2 Sb4 Ho1 122.92(3) 13_455 6_554 ?
Zn2 Sb4 Ho1 62.90(3) 13 6_554 ?
Sb5B Sb4 Ho1 64.37(6) . 6_554 ?
Sb5B Sb4 Ho1 108.44(7) 9_565 6_554 ?
Sb5A Sb4 Ho1 61.623(11) . 6_554 ?
Sb5A Sb4 Ho1 111.59(2) 1_455 6_554 ?
Ho1 Sb4 Ho1 101.423(14) 13 6_554 ?
Ho1 Sb4 Ho1 77.965(13) 6_454 6_554 ?
Zn1 Sb4 Ho1 66.6(8) 13 13_455 ?
Zn1 Sb4 Ho1 105.5(9) 5_454 13_455 ?
Zn2 Sb4 Ho1 62.90(3) 13_455 13_455 ?
Zn2 Sb4 Ho1 122.92(3) 13 13_455 ?
Sb5B Sb4 Ho1 108.44(7) . 13_455 ?
Sb5B Sb4 Ho1 64.37(6) 9_565 13_455 ?
Sb5A Sb4 Ho1 111.59(2) . 13_455 ?
Sb5A Sb4 Ho1 61.623(11) 1_455 13_455 ?
Ho1 Sb4 Ho1 77.965(13) 13 13_455 ?
Ho1 Sb4 Ho1 101.423(13) 6_454 13_455 ?
Ho1 Sb4 Ho1 171.70(4) 6_554 13_455 ?
Sb5B Sb5A Zn1 27.7(12) 9_665 13_655 ?
Sb5B Sb5A Zn1 152.3(12) 9_665 5_454 ?
Zn1 Sb5A Zn1 180.000(2) 13_655 5_454 ?
Sb5B Sb5A Zn1 152.3(12) 9_665 13 ?
Zn1 Sb5A Zn1 125(2) 13_655 13 ?
Zn1 Sb5A Zn1 55(2) 5_454 13 ?
Sb5B Sb5A Zn1 27.7(12) 9_665 5_554 ?
Zn1 Sb5A Zn1 55(2) 13_655 5_554 ?
Zn1 Sb5A Zn1 125(2) 5_454 5_554 ?
Zn1 Sb5A Zn1 180(2) 13 5_554 ?
Sb5B Sb5A Sb4 47.920(13) 9_665 9_665 ?
Zn1 Sb5A Sb4 53.6(5) 13_655 9_665 ?
Zn1 Sb5A Sb4 126.4(5) 5_454 9_665 ?
Zn1 Sb5A Sb4 126.4(5) 13 9_665 ?
Zn1 Sb5A Sb4 53.6(5) 5_554 9_665 ?
Sb5B Sb5A Sb4 132.080(13) 9_665 . ?
Zn1 Sb5A Sb4 126.4(5) 13_655 . ?
Zn1 Sb5A Sb4 53.6(5) 5_454 . ?
Zn1 Sb5A Sb4 53.6(5) 13 . ?
Zn1 Sb5A Sb4 126.4(5) 5_554 . ?
Sb4 Sb5A Sb4 180.0 9_665 . ?
Sb5B Sb5A Sb4 132.080(13) 9_665 9_565 ?
Zn1 Sb5A Sb4 126.4(5) 13_655 9_565 ?
Zn1 Sb5A Sb4 53.6(5) 5_454 9_565 ?
Zn1 Sb5A Sb4 53.6(5) 13 9_565 ?
Zn1 Sb5A Sb4 126.4(5) 5_554 9_565 ?
Sb4 Sb5A Sb4 84.16(3) 9_665 9_565 ?
Sb4 Sb5A Sb4 95.84(3) . 9_565 ?
Sb5B Sb5A Sb4 47.920(13) 9_665 1_655 ?
Zn1 Sb5A Sb4 53.6(5) 13_655 1_655 ?
Zn1 Sb5A Sb4 126.4(5) 5_454 1_655 ?
Zn1 Sb5A Sb4 126.4(5) 13 1_655 ?
Zn1 Sb5A Sb4 53.6(5) 5_554 1_655 ?
Sb4 Sb5A Sb4 95.84(3) 9_665 1_655 ?
Sb4 Sb5A Sb4 84.16(3) . 1_655 ?
Sb4 Sb5A Sb4 180.0 9_565 1_655 ?
Sb5B Sb5A Ho1 90.0 9_665 14 ?
Zn1 Sb5A Ho1 68.8(9) 13_655 14 ?
Zn1 Sb5A Ho1 111.2(9) 5_454 14 ?
Zn1 Sb5A Ho1 68.8(9) 13 14 ?
Zn1 Sb5A Ho1 111.2(9) 5_554 14 ?
Sb4 Sb5A Ho1 62.223(9) 9_665 14 ?
Sb4 Sb5A Ho1 117.777(9) . 14 ?
Sb4 Sb5A Ho1 62.223(9) 9_565 14 ?
Sb4 Sb5A Ho1 117.777(9) 1_655 14 ?
Sb5B Sb5A Ho1 90.0 9_665 6_554 ?
Zn1 Sb5A Ho1 111.2(9) 13_655 6_554 ?
Zn1 Sb5A Ho1 68.8(9) 5_454 6_554 ?
Zn1 Sb5A Ho1 111.2(9) 13 6_554 ?
Zn1 Sb5A Ho1 68.8(9) 5_554 6_554 ?
Sb4 Sb5A Ho1 117.777(9) 9_665 6_554 ?
Sb4 Sb5A Ho1 62.223(9) . 6_554 ?
Sb4 Sb5A Ho1 117.777(9) 9_565 6_554 ?
Sb4 Sb5A Ho1 62.223(9) 1_655 6_554 ?
Ho1 Sb5A Ho1 180.000(15) 14 6_554 ?
Sb5B Sb5A Ho1 90.0 9_665 5_554 ?
Zn1 Sb5A Ho1 111.2(9) 13_655 5_554 ?
Zn1 Sb5A Ho1 68.8(9) 5_454 5_554 ?
Zn1 Sb5A Ho1 111.2(9) 13 5_554 ?
Zn1 Sb5A Ho1 68.8(9) 5_554 5_554 ?
Sb4 Sb5A Ho1 62.223(9) 9_665 5_554 ?
Sb4 Sb5A Ho1 117.777(9) . 5_554 ?
Sb4 Sb5A Ho1 62.223(9) 9_565 5_554 ?
Sb4 Sb5A Ho1 117.777(9) 1_655 5_554 ?
Ho1 Sb5A Ho1 102.211(18) 14 5_554 ?
Ho1 Sb5A Ho1 77.789(18) 6_554 5_554 ?
Sb5B Sb5B Zn1 147.3(14) 9_665 5_454 ?
Sb5B Sb5B Zn1 147.3(14) 9_665 13 ?
Zn1 Sb5B Zn1 65(3) 5_454 13 ?
Sb5B Sb5B Zn1 24.0(11) 9_665 13_655 ?
Zn1 Sb5B Zn1 171.4(3) 5_454 13_655 ?
Zn1 Sb5B Zn1 123(2) 13 13_655 ?
Sb5B Sb5B Zn1 24.0(11) 9_665 5_554 ?
Zn1 Sb5B Zn1 123(2) 5_454 5_554 ?
Zn1 Sb5B Zn1 171.4(3) 13 5_554 ?
Zn1 Sb5B Zn1 48(2) 13_655 5_554 ?
Sb5B Sb5B Sb4 126.53(12) 9_665 . ?
Zn1 Sb5B Sb4 59.9(5) 5_454 . ?
Zn1 Sb5B Sb4 59.9(5) 13 . ?
Zn1 Sb5B Sb4 122.9(3) 13_655 . ?
Zn1 Sb5B Sb4 122.9(3) 5_554 . ?
Sb5B Sb5B Sb4 126.53(12) 9_665 9_565 ?
Zn1 Sb5B Sb4 59.9(5) 5_454 9_565 ?
Zn1 Sb5B Sb4 59.9(5) 13 9_565 ?
Zn1 Sb5B Sb4 122.9(3) 13_655 9_565 ?
Zn1 Sb5B Sb4 122.9(3) 5_554 9_565 ?
Sb4 Sb5B Sb4 106.9(2) . 9_565 ?
Sb5B Sb5B Ho1 83.52(13) 9_665 14 ?
Zn1 Sb5B Ho1 120.8(10) 5_454 14 ?
Zn1 Sb5B Ho1 71.2(10) 13 14 ?
Zn1 Sb5B Ho1 65.3(8) 13_655 14 ?
Zn1 Sb5B Ho1 102.2(9) 5_554 14 ?
Sb4 Sb5B Ho1 124.64(12) . 14 ?
Sb4 Sb5B Ho1 64.27(3) 9_565 14 ?
Sb5B Sb5B Ho1 83.52(13) 9_665 6_554 ?
Zn1 Sb5B Ho1 71.2(10) 5_454 6_554 ?
Zn1 Sb5B Ho1 120.8(10) 13 6_554 ?
Zn1 Sb5B Ho1 102.2(9) 13_655 6_554 ?
Zn1 Sb5B Ho1 65.3(8) 5_554 6_554 ?
Sb4 Sb5B Ho1 64.27(3) . 6_554 ?
Sb4 Sb5B Ho1 124.64(12) 9_565 6_554 ?
Ho1 Sb5B Ho1 167.0(3) 14 6_554 ?
Sb5B Sb5B Ho1 83.52(13) 9_665 13 ?
Zn1 Sb5B Ho1 120.8(10) 5_454 13 ?
Zn1 Sb5B Ho1 71.2(10) 13 13 ?
Zn1 Sb5B Ho1 65.3(8) 13_655 13 ?
Zn1 Sb5B Ho1 102.2(9) 5_554 13 ?
Sb4 Sb5B Ho1 64.27(3) . 13 ?
Sb4 Sb5B Ho1 124.64(12) 9_565 13 ?
Ho1 Sb5B Ho1 77.20(3) 14 13 ?
Ho1 Sb5B Ho1 101.31(4) 6_554 13 ?
Sb5B Sb5B Ho1 83.52(13) 9_665 5_554 ?
Zn1 Sb5B Ho1 71.2(10) 5_454 5_554 ?
Zn1 Sb5B Ho1 120.8(10) 13 5_554 ?
Zn1 Sb5B Ho1 102.2(9) 13_655 5_554 ?
Zn1 Sb5B Ho1 65.3(8) 5_554 5_554 ?
Sb4 Sb5B Ho1 124.64(12) . 5_554 ?
Sb4 Sb5B Ho1 64.27(3) 9_565 5_554 ?
Ho1 Sb5B Ho1 101.31(4) 14 5_554 ?
Ho1 Sb5B Ho1 77.20(3) 6_554 5_554 ?
Ho1 Sb5B Ho1 167.0(3) 13 5_554 ?
Ho2 Sb6 Ho2 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
Ho1 Zn2 3.1055(18) . ?
Ho1 Sb3 3.1115(5) 1_455 ?
Ho1 Sb3 3.1115(5) . ?
Ho1 Sb1 3.2290(6) 13 ?
Ho1 Sb1 3.2290(6) 13_455 ?
Ho1 Zn1 3.23(3) 1_455 ?
Ho1 Zn1 3.23(3) . ?
Ho1 Sb5A 3.2445(5) 5_445 ?
Ho1 Sb4 3.2627(4) 13 ?
Ho1 Sb4 3.2627(4) 13_455 ?
Ho1 Sb5B 3.2653(10) 13 ?
Ho1 Sb5B 3.2653(10) 5_445 ?
Ho2 Sb3 3.0981(9) . ?
Ho2 Sb3 3.0981(9) 1_455 ?
Ho2 Sb1 3.1297(7) . ?
Ho2 Sb1 3.1297(7) 2 ?
Ho2 Sb2 3.1918(8) 14_445 ?
Ho2 Sb2 3.1918(8) 13 ?
Ho2 Sb2 3.1918(8) 14_545 ?
Ho2 Sb2 3.1918(8) 13_455 ?
Ho2 Sb6 3.2871(8) . ?
Zn1 Sb5B 2.00(3) 5_545 ?
Zn1 Sb5B 2.00(3) 13 ?
Zn1 Zn1 2.16(11) 9_656 ?
Zn1 Sb5A 2.32(3) 5_545 ?
Zn1 Sb5A 2.32(3) 5_445 ?
Zn1 Sb4 2.52(2) 13 ?
Zn1 Sb4 2.52(2) 5_545 ?
Zn1 Sb3 2.59(6) . ?
Zn1 Sb5B 2.65(2) 13_655 ?
Zn1 Sb5B 2.65(2) 5_445 ?
Zn1 Ho1 3.23(3) 2 ?
Zn1 Ho1 3.23(3) 1_655 ?
Zn2 Sb2 2.400(2) 10_556 ?
Zn2 Sb2 2.400(2) . ?
Zn2 Sb4 2.585(2) 13_455 ?
Zn2 Sb4 2.585(2) 13 ?
Zn2 Ho1 3.1055(18) 10_556 ?
Sb1 Sb2 2.9837(8) 13_455 ?
Sb1 Sb2 2.9837(8) 13 ?
Sb1 Sb1 3.0592(10) 13 ?
Sb1 Sb1 3.0592(10) 13_455 ?
Sb1 Ho1 3.2290(6) 13 ?
Sb1 Ho1 3.2290(6) 13_455 ?
Sb2 Sb1 2.9837(8) 13_455 ?
Sb2 Sb1 2.9837(8) 13 ?
Sb2 Ho2 3.1918(8) 13 ?
Sb2 Ho2 3.1918(8) 13_455 ?
Sb3 Ho2 3.0981(9) 1_655 ?
Sb3 Ho1 3.1115(5) 1_655 ?
Sb3 Ho1 3.1115(5) 2 ?
Sb3 Ho1 3.1115(5) 2_655 ?
Sb4 Zn1 2.52(2) 13 ?
Sb4 Zn1 2.52(2) 5_454 ?
Sb4 Zn2 2.585(2) 13_455 ?
Sb4 Zn2 2.585(2) 13 ?
Sb4 Sb5B 2.829(4) . ?
Sb4 Sb5B 2.829(4) 9_565 ?
Sb4 Sb5A 3.0627(8) . ?
Sb4 Sb5A 3.0627(8) 1_455 ?
Sb4 Ho1 3.2627(4) 13 ?
Sb4 Ho1 3.2627(4) 6_454 ?
Sb4 Ho1 3.2627(4) 6_554 ?
Sb4 Ho1 3.2627(4) 13_455 ?
Sb5A Sb5B 0.368(7) 9_665 ?
Sb5A Zn1 2.32(3) 13_655 ?
Sb5A Zn1 2.32(3) 5_454 ?
Sb5A Zn1 2.32(3) 13 ?
Sb5A Zn1 2.32(3) 5_554 ?
Sb5A Sb4 3.0627(8) 9_665 ?
Sb5A Sb4 3.0627(8) 9_565 ?
Sb5A Sb4 3.0627(8) 1_655 ?
Sb5A Ho1 3.2445(5) 14 ?
Sb5A Ho1 3.2445(5) 6_554 ?
Sb5A Ho1 3.2445(5) 5_554 ?
Sb5B Sb5B 0.737(15) 9_665 ?
Sb5B Zn1 2.00(3) 5_454 ?
Sb5B Zn1 2.00(3) 13 ?
Sb5B Zn1 2.65(2) 13_655 ?
Sb5B Zn1 2.65(2) 5_554 ?
Sb5B Sb4 2.829(4) 9_565 ?
Sb5B Ho1 3.2653(10) 14 ?
Sb5B Ho1 3.2653(10) 6_554 ?
Sb5B Ho1 3.2653(10) 13 ?
Sb5B Ho1 3.2653(10) 5_554 ?
Sb6 Ho2 3.2871(8) 9 ?
