#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/91/2219186.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2219186
loop_
_publ_author_name
'Romaka, V.'
'Tkachuk, A.'
'Romaka, L.'
_publ_section_title
;
 Zr₃NiSb₇: a new antimony-enriched ZrSb₂ derivative
;
_journal_coeditor_code           WM2182
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i47
_journal_paper_doi               10.1107/S1600536808020278
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'Zr3 Ni Sb7'
_chemical_formula_moiety         'Ni Sb7 Zr3'
_chemical_formula_sum            'Ni Sb7 Zr3'
_chemical_formula_weight         1184.62
_chemical_name_systematic
;
trizirconium nickel heptaantimonide
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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            4
_cell_length_a                   17.5165(19)
_cell_length_b                   3.9266(4)
_cell_length_c                   14.3968(15)
_cell_measurement_reflns_used    4956
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      33.07
_cell_measurement_theta_min      2.33
_cell_volume                     990.22(18)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2000)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       'φ and ω'
_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  0.0435
_diffrn_reflns_av_sigmaI/netI    0.0257
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11118
_diffrn_reflns_theta_full        30.50
_diffrn_reflns_theta_max         30.50
_diffrn_reflns_theta_min         2.33
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    23.558
_exptl_absorpt_correction_T_max  0.4264
_exptl_absorpt_correction_T_min  0.0572
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(SHELXTL; Sheldrick, 2008)'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    7.946
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2020
_exptl_crystal_size_max          0.367
_exptl_crystal_size_mid          0.056
_exptl_crystal_size_min          0.040
_refine_diff_density_max         2.124
_refine_diff_density_min         -2.894
_refine_ls_extinction_coef       0.00069(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_matrix_type           full
_refine_ls_number_parameters     68
_refine_ls_number_reflns         1722
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.183
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0244
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0223P)²+1.1518P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0514
_refine_ls_wR_factor_ref         0.0535
_reflns_number_gt                1500
_reflns_number_total             1722
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            wm2182.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2219186
_cod_database_fobs_code          2219186
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Zr Zr1 0.34664(4) 0.2500 0.19076(5) 0.00788(14) Uani d S 1
Zr Zr2 0.37045(4) 0.2500 0.47072(5) 0.00721(13) Uani d S 1
Zr Zr3 0.39237(4) 0.2500 0.90990(5) 0.00782(14) Uani d S 1
Ni Ni1 0.43680(5) 0.2500 0.68908(6) 0.00903(18) Uani d S 1
Sb Sb1 0.02147(3) 0.2500 0.29766(3) 0.00871(11) Uani d S 1
Sb Sb2 0.03748(2) 0.2500 0.07626(3) 0.00790(10) Uani d S 1
Sb Sb3 0.07123(3) 0.2500 0.56057(3) 0.00957(11) Uani d S 1
Sb Sb4 0.09131(3) 0.2500 0.82504(3) 0.00823(10) Uani d S 1
Sb Sb5 0.22833(3) 0.2500 0.35390(3) 0.00918(11) Uani d S 1
Sb Sb6 0.24792(2) 0.2500 0.02153(3) 0.00875(11) Uani d S 1
Sb Sb7 0.28995(3) 0.2500 0.68532(4) 0.01218(11) Uani d S 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -2.9673 0.5597 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Sb4 Zr1 Sb4 2_564 2_554 83.03(2) no
Sb4 Zr1 Sb6 2_564 . 138.128(11) no
Sb4 Zr1 Sb6 2_554 . 138.128(11) no
Sb4 Zr1 Sb1 2_564 6_656 66.303(16) no
Sb4 Zr1 Sb1 2_554 6_656 66.303(16) no
Sb6 Zr1 Sb1 . 6_656 128.48(3) no
Sb4 Zr1 Sb3 2_564 2_554 130.54(3) no
Sb4 Zr1 Sb3 2_554 2_554 78.623(15) no
Sb6 Zr1 Sb3 . 2_554 76.910(19) no
Sb1 Zr1 Sb3 6_656 2_554 64.250(16) no
Sb4 Zr1 Sb3 2_564 2_564 78.623(15) no
Sb4 Zr1 Sb3 2_554 2_564 130.54(3) no
Sb6 Zr1 Sb3 . 2_564 76.911(19) no
Sb1 Zr1 Sb3 6_656 2_564 64.250(16) no
Sb3 Zr1 Sb3 2_554 2_564 79.45(2) no
Sb4 Zr1 Sb7 2_564 2_554 136.09(3) no
Sb4 Zr1 Sb7 2_554 2_554 83.092(15) no
Sb6 Zr1 Sb7 . 2_554 62.103(16) no
Sb1 Zr1 Sb7 6_656 2_554 140.627(10) no
Sb3 Zr1 Sb7 2_554 2_554 86.630(15) no
Sb3 Zr1 Sb7 2_564 2_554 138.75(3) no
Sb4 Zr1 Sb7 2_564 2_564 83.092(15) no
Sb4 Zr1 Sb7 2_554 2_564 136.09(3) no
Sb6 Zr1 Sb7 . 2_564 62.103(16) no
Sb1 Zr1 Sb7 6_656 2_564 140.627(10) no
Sb3 Zr1 Sb7 2_554 2_564 138.75(3) no
Sb3 Zr1 Sb7 2_564 2_564 86.630(15) no
Sb7 Zr1 Sb7 2_554 2_564 78.71(2) no
Sb4 Zr1 Sb5 2_564 . 75.722(19) no
Sb4 Zr1 Sb5 2_554 . 75.722(19) no
Sb6 Zr1 Sb5 . . 103.21(2) no
Sb1 Zr1 Sb5 6_656 . 128.31(3) no
Sb3 Zr1 Sb5 2_554 . 140.115(11) no
Sb3 Zr1 Sb5 2_564 . 140.115(11) no
Sb7 Zr1 Sb5 2_554 . 60.504(16) no
Sb7 Zr1 Sb5 2_564 . 60.504(16) no
Sb6 Zr2 Sb6 2 2_565 83.52(2) no
Sb6 Zr2 Sb4 2 2_554 83.851(14) no
Sb6 Zr2 Sb4 2_565 2_554 141.21(3) no
Sb6 Zr2 Sb4 2 2_564 141.21(3) no
Sb6 Zr2 Sb4 2_565 2_564 83.851(14) no
Sb4 Zr2 Sb4 2_554 2_564 83.45(2) no
Sb6 Zr2 Sb2 2 2_565 134.23(3) no
Sb6 Zr2 Sb2 2_565 2_565 79.287(15) no
Sb4 Zr2 Sb2 2_554 2_565 133.05(3) no
Sb4 Zr2 Sb2 2_564 2_565 78.456(15) no
Sb6 Zr2 Sb2 2 2 79.287(15) no
Sb6 Zr2 Sb2 2_565 2 134.23(3) no
Sb4 Zr2 Sb2 2_554 2 78.456(15) no
Sb4 Zr2 Sb2 2_564 2 133.05(3) no
Sb2 Zr2 Sb2 2_565 2 83.09(2) no
Sb6 Zr2 Sb2 2 6_656 137.839(11) no
Sb6 Zr2 Sb2 2_565 6_656 137.839(11) no
Sb4 Zr2 Sb2 2_554 6_656 67.583(16) no
Sb4 Zr2 Sb2 2_564 6_656 67.583(16) no
Sb2 Zr2 Sb2 2_565 6_656 65.474(17) no
Sb2 Zr2 Sb2 2 6_656 65.474(17) no
Sb6 Zr2 Sb5 2 . 63.641(17) no
Sb6 Zr2 Sb5 2_565 . 63.641(17) no
Sb4 Zr2 Sb5 2_554 . 77.886(19) no
Sb4 Zr2 Sb5 2_564 . 77.886(19) no
Sb2 Zr2 Sb5 2_565 . 137.621(11) no
Sb2 Zr2 Sb5 2 . 137.621(12) no
Sb2 Zr2 Sb5 6_656 . 132.94(3) no
Sb6 Zr2 Sb7 2 . 58.813(15) no
Sb6 Zr2 Sb7 2_565 . 58.813(15) no
Sb4 Zr2 Sb7 2_554 . 137.823(12) no
Sb4 Zr2 Sb7 2_564 . 137.823(12) no
Sb2 Zr2 Sb7 2_565 . 76.068(18) no
Sb2 Zr2 Sb7 2 . 76.068(18) no
Sb2 Zr2 Sb7 6_656 . 127.55(2) no
Sb5 Zr2 Sb7 . . 99.51(2) no
Sb1 Zr3 Sb1 2 2_565 83.21(2) no
Sb1 Zr3 Sb3 2 2_565 136.27(3) no
Sb1 Zr3 Sb3 2_565 2_565 81.481(15) no
Sb1 Zr3 Sb3 2 2 81.481(16) no
Sb1 Zr3 Sb3 2_565 2 136.27(3) no
Sb3 Zr3 Sb3 2_565 2 81.94(2) no
Sb1 Zr3 Sb5 2 2 77.172(16) no
Sb1 Zr3 Sb5 2_565 2 130.41(3) no
Sb3 Zr3 Sb5 2_565 2 140.80(3) no
Sb3 Zr3 Sb5 2 2 85.155(14) no
Sb1 Zr3 Sb5 2 2_565 130.41(3) no
Sb1 Zr3 Sb5 2_565 2_565 77.172(15) no
Sb3 Zr3 Sb5 2_565 2_565 85.155(14) no
Sb3 Zr3 Sb5 2 2_565 140.80(3) no
Sb5 Zr3 Sb5 2 2_565 81.89(2) no
Sb1 Zr3 Sb6 2 1_556 136.371(13) no
Sb1 Zr3 Sb6 2_565 1_556 136.371(13) no
Sb3 Zr3 Sb6 2_565 1_556 77.956(19) no
Sb3 Zr3 Sb6 2 1_556 77.956(19) no
Sb5 Zr3 Sb6 2 1_556 63.164(17) no
Sb5 Zr3 Sb6 2_565 1_556 63.164(17) no
Sb1 Zr3 Sb3 2 6_657 64.388(16) no
Sb1 Zr3 Sb3 2_565 6_657 64.388(16) no
Sb3 Zr3 Sb3 2_565 6_657 72.038(18) no
Sb3 Zr3 Sb3 2 6_657 72.038(18) no
Sb5 Zr3 Sb3 2 6_657 137.351(12) no
Sb5 Zr3 Sb3 2_565 6_657 137.351(12) no
Sb6 Zr3 Sb3 1_556 6_657 139.85(3) no
Sb1 Zr3 Ni1 2 . 49.295(15) no
Sb1 Zr3 Ni1 2_565 . 49.295(15) no
Sb3 Zr3 Ni1 2_565 . 130.769(18) no
Sb3 Zr3 Ni1 2 . 130.769(18) no
Sb5 Zr3 Ni1 2 . 84.63(2) no
Sb5 Zr3 Ni1 2_565 . 84.63(2) no
Sb6 Zr3 Ni1 1_556 . 136.18(3) no
Sb3 Zr3 Ni1 6_657 . 83.97(2) no
Sb7 Ni1 Sb2 . 2 99.26(3) no
Sb7 Ni1 Sb2 . 2_565 99.26(3) no
Sb2 Ni1 Sb2 2 2_565 98.71(3) no
Sb7 Ni1 Sb1 . 2_565 106.99(3) no
Sb2 Ni1 Sb1 2 2_565 153.71(4) no
Sb2 Ni1 Sb1 2_565 2_565 75.925(16) no
Sb7 Ni1 Sb1 . 2 106.99(3) no
Sb2 Ni1 Sb1 2 2 75.925(16) no
Sb2 Ni1 Sb1 2_565 2 153.71(4) no
Sb1 Ni1 Sb1 2_565 2 97.37(3) no
Sb7 Ni1 Sb4 . 6_657 174.50(4) no
Sb2 Ni1 Sb4 2 6_657 77.26(2) no
Sb2 Ni1 Sb4 2_565 6_657 77.26(2) no
Sb1 Ni1 Sb4 2_565 6_657 76.46(2) no
Sb1 Ni1 Sb4 2 6_657 76.46(2) no
Sb7 Ni1 Zr3 . . 77.45(3) no
Sb2 Ni1 Zr3 2 . 130.623(17) no
Sb2 Ni1 Zr3 2_565 . 130.623(17) no
Sb1 Ni1 Zr3 2_565 . 59.04(2) no
Sb1 Ni1 Zr3 2 . 59.04(2) no
Sb4 Ni1 Zr3 6_657 . 108.05(3) no
Ni1 Sb1 Ni1 2_554 2_564 97.37(3) no
Ni1 Sb1 Zr3 2_554 2_564 133.06(3) no
Ni1 Sb1 Zr3 2_564 2_564 71.66(2) no
Ni1 Sb1 Zr3 2_554 2_554 71.66(2) no
Ni1 Sb1 Zr3 2_564 2_554 133.06(3) no
Zr3 Sb1 Zr3 2_564 2_554 83.21(2) no
Ni1 Sb1 Zr1 2_554 6_556 108.17(2) no
Ni1 Sb1 Zr1 2_564 6_556 108.17(2) no
Zr3 Sb1 Zr1 2_564 6_556 118.681(19) no
Zr3 Sb1 Zr1 2_554 6_556 118.681(19) no
Ni1 Sb1 Sb2 2_554 . 51.665(19) no
Ni1 Sb1 Sb2 2_564 . 51.665(19) no
Zr3 Sb1 Sb2 2_564 . 119.976(18) no
Zr3 Sb1 Sb2 2_554 . 119.976(18) no
Zr1 Sb1 Sb2 6_556 . 98.147(19) no
Ni1 Sb1 Sb3 2_554 5_566 164.74(2) no
Ni1 Sb1 Sb3 2_564 5_566 93.514(18) no
Zr3 Sb1 Sb3 2_564 5_566 60.848(17) no
Zr3 Sb1 Sb3 2_554 5_566 108.15(2) no
Zr1 Sb1 Sb3 6_556 5_566 57.951(14) no
Sb2 Sb1 Sb3 . 5_566 131.792(14) no
Ni1 Sb1 Sb3 2_554 5_556 93.514(18) no
Ni1 Sb1 Sb3 2_564 5_556 164.74(2) no
Zr3 Sb1 Sb3 2_564 5_556 108.15(2) no
Zr3 Sb1 Sb3 2_554 5_556 60.848(17) no
Zr1 Sb1 Sb3 6_556 5_556 57.951(14) no
Sb2 Sb1 Sb3 . 5_556 131.792(13) no
Sb3 Sb1 Sb3 5_566 5_556 73.942(16) no
Ni1 Sb1 Sb4 2_554 5_556 53.14(2) no
Ni1 Sb1 Sb4 2_564 5_556 107.12(3) no
Zr3 Sb1 Sb4 2_564 5_556 173.544(17) no
Zr3 Sb1 Sb4 2_554 5_556 101.722(12) no
Zr1 Sb1 Sb4 6_556 5_556 55.321(14) no
Sb2 Sb1 Sb4 . 5_556 61.249(13) no
Sb3 Sb1 Sb4 5_566 5_556 113.263(18) no
Sb3 Sb1 Sb4 5_556 5_556 71.272(14) no
Ni1 Sb1 Sb4 2_554 5_566 107.12(3) no
Ni1 Sb1 Sb4 2_564 5_566 53.14(2) no
Zr3 Sb1 Sb4 2_564 5_566 101.722(12) no
Zr3 Sb1 Sb4 2_554 5_566 173.544(17) no
Zr1 Sb1 Sb4 6_556 5_566 55.321(14) no
Sb2 Sb1 Sb4 . 5_566 61.249(13) no
Sb3 Sb1 Sb4 5_566 5_566 71.272(14) no
Sb3 Sb1 Sb4 5_556 5_566 113.263(18) no
Sb4 Sb1 Sb4 5_556 5_566 73.066(15) no
Ni1 Sb2 Ni1 2_564 2_554 98.71(3) no
Ni1 Sb2 Zr2 2_564 2_554 136.93(3) no
Ni1 Sb2 Zr2 2_554 2_554 73.99(2) no
Ni1 Sb2 Zr2 2_564 2_564 73.99(2) no
Ni1 Sb2 Zr2 2_554 2_564 136.93(3) no
Zr2 Sb2 Zr2 2_554 2_564 83.09(2) no
Ni1 Sb2 Zr2 2_564 6_556 108.12(2) no
Ni1 Sb2 Zr2 2_554 6_556 108.12(2) no
Zr2 Sb2 Zr2 2_554 6_556 114.528(17) no
Zr2 Sb2 Zr2 2_564 6_556 114.528(17) no
Ni1 Sb2 Sb1 2_564 . 52.409(19) no
Ni1 Sb2 Sb1 2_554 . 52.409(19) no
Zr2 Sb2 Sb1 2_554 . 123.991(17) no
Zr2 Sb2 Sb1 2_564 . 123.991(17) no
Zr2 Sb2 Sb1 6_556 . 97.986(19) no
Ni1 Sb2 Sb2 2_564 5 163.78(3) no
Ni1 Sb2 Sb2 2_554 5 92.085(17) no
Zr2 Sb2 Sb2 2_554 5 57.900(17) no
Zr2 Sb2 Sb2 2_564 5 106.03(2) no
Zr2 Sb2 Sb2 6_556 5 56.628(16) no
Sb1 Sb2 Sb2 . 5 129.982(17) no
Ni1 Sb2 Sb2 2_564 5_565 92.085(17) no
Ni1 Sb2 Sb2 2_554 5_565 163.78(3) no
Zr2 Sb2 Sb2 2_554 5_565 106.03(2) no
Zr2 Sb2 Sb2 2_564 5_565 57.900(16) no
Zr2 Sb2 Sb2 6_556 5_565 56.628(16) no
Sb1 Sb2 Sb2 . 5_565 129.982(17) no
Sb2 Sb2 Sb2 5 5_565 75.00(2) no
Ni1 Sb2 Sb4 2_564 5_556 107.40(3) no
Ni1 Sb2 Sb4 2_554 5_556 53.08(2) no
Zr2 Sb2 Sb4 2_554 5_556 101.431(12) no
Zr2 Sb2 Sb4 2_564 5_556 169.95(2) no
Zr2 Sb2 Sb4 6_556 5_556 55.446(14) no
Sb1 Sb2 Sb4 . 5_556 60.840(12) no
Sb2 Sb2 Sb4 5 5_556 69.745(15) no
Sb2 Sb2 Sb4 5_565 5_556 112.07(2) no
Ni1 Sb2 Sb4 2_564 5_566 53.08(2) no
Ni1 Sb2 Sb4 2_554 5_566 107.40(3) no
Zr2 Sb2 Sb4 2_554 5_566 169.95(2) no
Zr2 Sb2 Sb4 2_564 5_566 101.431(12) no
Zr2 Sb2 Sb4 6_556 5_566 55.446(14) no
Sb1 Sb2 Sb4 . 5_566 60.840(12) no
Sb2 Sb2 Sb4 5 5_566 112.07(2) no
Sb2 Sb2 Sb4 5_565 5_566 69.745(15) no
Sb4 Sb2 Sb4 5_556 5_566 72.732(15) no
Zr3 Sb3 Zr3 2_554 2_564 81.94(2) no
Zr3 Sb3 Zr1 2_554 2_565 139.58(2) no
Zr3 Sb3 Zr1 2_564 2_565 85.597(17) no
Zr3 Sb3 Zr1 2_554 2 85.597(16) no
Zr3 Sb3 Zr1 2_564 2 139.58(2) no
Zr1 Sb3 Zr1 2_565 2 79.45(2) no
Zr3 Sb3 Zr3 2_554 6_557 107.962(18) no
Zr3 Sb3 Zr3 2_564 6_557 107.962(18) no
Zr1 Sb3 Zr3 2_565 6_557 112.458(19) no
Zr1 Sb3 Zr3 2 6_557 112.458(19) no
Zr3 Sb3 Sb1 2_554 5_566 162.39(2) no
Zr3 Sb3 Sb1 2_564 5_566 99.468(13) no
Zr1 Sb3 Sb1 2_565 5_566 57.799(16) no
Zr1 Sb3 Sb1 2 5_566 103.64(2) no
Zr3 Sb3 Sb1 6_557 5_566 54.764(13) no
Zr3 Sb3 Sb1 2_554 5_556 99.468(13) no
Zr3 Sb3 Sb1 2_564 5_556 162.39(2) no
Zr1 Sb3 Sb1 2_565 5_556 103.64(2) no
Zr1 Sb3 Sb1 2 5_556 57.799(15) no
Zr3 Sb3 Sb1 6_557 5_556 54.764(13) no
Sb1 Sb3 Sb1 5_566 5_556 73.942(15) no
Ni1 Sb4 Zr2 6_557 2_565 106.24(2) no
Ni1 Sb4 Zr2 6_557 2 106.24(2) no
Zr2 Sb4 Zr2 2_565 2 83.45(2) no
Ni1 Sb4 Zr1 6_557 2 108.49(2) no
Zr2 Sb4 Zr1 2_565 2 145.27(2) no
Zr2 Sb4 Zr1 2 2 86.535(17) no
Ni1 Sb4 Zr1 6_557 2_565 108.49(2) no
Zr2 Sb4 Zr1 2_565 2_565 86.535(17) no
Zr2 Sb4 Zr1 2 2_565 145.27(2) no
Zr1 Sb4 Zr1 2 2_565 83.03(2) no
Ni1 Sb4 Sb1 6_557 5_556 50.403(16) no
Zr2 Sb4 Sb1 2_565 5_556 155.92(2) no
Zr2 Sb4 Sb1 2 5_556 96.928(13) no
Zr1 Sb4 Sb1 2 5_556 58.375(16) no
Zr1 Sb4 Sb1 2_565 5_556 105.36(2) no
Ni1 Sb4 Sb1 6_557 5_566 50.403(16) no
Zr2 Sb4 Sb1 2_565 5_566 96.928(13) no
Zr2 Sb4 Sb1 2 5_566 155.92(2) no
Zr1 Sb4 Sb1 2 5_566 105.36(2) no
Zr1 Sb4 Sb1 2_565 5_566 58.375(16) no
Sb1 Sb4 Sb1 5_556 5_566 73.066(15) no
Ni1 Sb4 Sb2 6_557 5_556 49.662(16) no
Zr2 Sb4 Sb2 2_565 5_556 104.14(2) no
Zr2 Sb4 Sb2 2 5_556 56.972(16) no
Zr1 Sb4 Sb2 2 5_556 97.880(13) no
Zr1 Sb4 Sb2 2_565 5_556 157.39(2) no
Sb1 Sb4 Sb2 5_556 5_556 57.912(14) no
Sb1 Sb4 Sb2 5_566 5_556 100.063(17) no
Ni1 Sb4 Sb2 6_557 5_566 49.662(16) no
Zr2 Sb4 Sb2 2_565 5_566 56.972(16) no
Zr2 Sb4 Sb2 2 5_566 104.14(2) no
Zr1 Sb4 Sb2 2 5_566 157.39(2) no
Zr1 Sb4 Sb2 2_565 5_566 97.880(13) no
Sb1 Sb4 Sb2 5_556 5_566 100.063(17) no
Sb1 Sb4 Sb2 5_566 5_566 57.912(14) no
Sb2 Sb4 Sb2 5_556 5_566 72.734(15) no
Zr3 Sb5 Zr3 2_554 2_564 81.89(2) no
Zr3 Sb5 Zr2 2_554 . 115.73(2) no
Zr3 Sb5 Zr2 2_564 . 115.73(2) no
Zr3 Sb5 Zr1 2_554 . 131.970(16) no
Zr3 Sb5 Zr1 2_564 . 131.970(16) no
Zr2 Sb5 Zr1 . . 82.62(2) no
Zr3 Sb5 Sb7 2_554 2_554 74.105(16) no
Zr3 Sb5 Sb7 2_564 2_554 123.11(2) no
Zr2 Sb5 Sb7 . 2_554 121.163(17) no
Zr1 Sb5 Sb7 . 2_554 59.174(15) no
Zr3 Sb5 Sb7 2_554 2_564 123.11(2) no
Zr3 Sb5 Sb7 2_564 2_564 74.105(16) no
Zr2 Sb5 Sb7 . 2_564 121.163(17) no
Zr1 Sb5 Sb7 . 2_564 59.174(15) no
Sb7 Sb5 Sb7 2_554 2_564 77.460(18) no
Zr3 Sb5 Sb6 2_554 2_565 107.25(2) no
Zr3 Sb5 Sb6 2_564 2_565 58.444(16) no
Zr2 Sb5 Sb6 . 2_565 57.301(14) no
Zr1 Sb5 Sb6 . 2_565 119.266(16) no
Sb7 Sb5 Sb6 2_554 2_565 178.23(2) no
Sb7 Sb5 Sb6 2_564 2_565 102.523(11) no
Zr3 Sb5 Sb6 2_554 2 58.444(16) no
Zr3 Sb5 Sb6 2_564 2 107.25(2) no
Zr2 Sb5 Sb6 . 2 57.302(14) no
Zr1 Sb5 Sb6 . 2 119.266(16) no
Sb7 Sb5 Sb6 2_554 2 102.523(11) no
Sb7 Sb5 Sb6 2_564 2 178.23(2) no
Sb6 Sb5 Sb6 2_565 2 77.438(18) no
Zr2 Sb6 Zr2 2_554 2_564 83.52(2) no
Zr2 Sb6 Zr1 2_554 . 127.554(17) no
Zr2 Sb6 Zr1 2_564 . 127.554(17) no
Zr2 Sb6 Zr3 2_554 1_554 117.435(19) no
Zr2 Sb6 Zr3 2_564 1_554 117.435(19) no
Zr1 Sb6 Zr3 . 1_554 87.06(2) no
Zr2 Sb6 Sb5 2_554 2_554 59.058(16) no
Zr2 Sb6 Sb5 2_564 2_554 108.60(2) no
Zr1 Sb6 Sb5 . 2_554 123.387(17) no
Zr3 Sb6 Sb5 1_554 2_554 58.391(14) no
Zr2 Sb6 Sb5 2_554 2_564 108.60(2) no
Zr2 Sb6 Sb5 2_564 2_564 59.058(16) no
Zr1 Sb6 Sb5 . 2_564 123.387(17) no
Zr3 Sb6 Sb5 1_554 2_564 58.391(14) no
Sb5 Sb6 Sb5 2_554 2_564 77.437(18) no
Zr2 Sb6 Sb7 2_554 2_564 117.02(2) no
Zr2 Sb6 Sb7 2_564 2_564 67.743(16) no
Zr1 Sb6 Sb7 . 2_564 60.643(16) no
Zr3 Sb6 Sb7 1_554 2_564 125.528(15) no
Sb5 Sb6 Sb7 2_554 2_564 175.37(2) no
Sb5 Sb6 Sb7 2_564 2_564 102.379(11) no
Zr2 Sb6 Sb7 2_554 2_554 67.743(16) no
Zr2 Sb6 Sb7 2_564 2_554 117.02(2) no
Zr1 Sb6 Sb7 . 2_554 60.643(16) no
Zr3 Sb6 Sb7 1_554 2_554 125.528(15) no
Sb5 Sb6 Sb7 2_554 2_554 102.379(11) no
Sb5 Sb6 Sb7 2_564 2_554 175.37(2) no
Sb7 Sb6 Sb7 2_564 2_554 77.422(18) no
Ni1 Sb7 Zr1 . 2 140.543(10) no
Ni1 Sb7 Zr1 . 2_565 140.543(10) no
Zr1 Sb7 Zr1 2 2_565 78.71(2) no
Ni1 Sb7 Sb5 . 2_565 94.92(2) no
Zr1 Sb7 Sb5 2 2_565 107.36(2) no
Zr1 Sb7 Sb5 2_565 2_565 60.321(16) no
Ni1 Sb7 Sb5 . 2 94.92(2) no
Zr1 Sb7 Sb5 2 2 60.321(16) no
Zr1 Sb7 Sb5 2_565 2 107.36(2) no
Sb5 Sb7 Sb5 2_565 2 77.460(18) no
Ni1 Sb7 Sb6 . 2 103.12(2) no
Zr1 Sb7 Sb6 2 2 57.253(16) no
Zr1 Sb7 Sb6 2_565 2 104.61(2) no
Sb5 Sb7 Sb6 2_565 2 161.93(2) no
Sb5 Sb7 Sb6 2 2 99.677(12) no
Ni1 Sb7 Sb6 . 2_565 103.12(2) no
Zr1 Sb7 Sb6 2 2_565 104.61(2) no
Zr1 Sb7 Sb6 2_565 2_565 57.253(16) no
Sb5 Sb7 Sb6 2_565 2_565 99.677(12) no
Sb5 Sb7 Sb6 2 2_565 161.93(2) no
Sb6 Sb7 Sb6 2 2_565 77.422(18) no
Ni1 Sb7 Zr2 . . 66.67(2) no
Zr1 Sb7 Zr2 2 . 110.11(2) no
Zr1 Sb7 Zr2 2_565 . 110.11(2) no
Sb5 Sb7 Zr2 2_565 . 138.240(11) no
Sb5 Sb7 Zr2 2 . 138.240(11) no
Sb6 Sb7 Zr2 2 . 53.446(14) no
Sb6 Sb7 Zr2 2_565 . 53.446(14) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zr1 Sb4 2_564 2.9620(6) yes
Zr1 Sb4 2_554 2.9620(6) no
Zr1 Sb6 . 2.9876(8) yes
Zr1 Sb1 6_656 3.0669(8) yes
Zr1 Sb3 2_554 3.0720(7) yes
Zr1 Sb3 2_564 3.0720(7) ?
Zr1 Sb7 2_554 3.0960(6) yes
Zr1 Sb7 2_564 3.0960(6) ?
Zr1 Sb5 . 3.1324(8) yes
Zr2 Sb6 2 2.9478(6) yes
Zr2 Sb6 2_565 2.9478(6) ?
Zr2 Sb4 2_554 2.9499(6) yes
Zr2 Sb4 2_564 2.9499(6) ?
Zr2 Sb2 2_565 2.9604(6) ?
Zr2 Sb2 2 2.9604(6) yes
Zr2 Sb2 6_656 3.0029(8) yes
Zr2 Sb5 . 3.0044(8) yes
Zr2 Sb7 . 3.3962(9) no
Zr3 Sb1 2 2.9569(6) yes
Zr3 Sb1 2_565 2.9569(6) ?
Zr3 Sb3 2_565 2.9944(7) ?
Zr3 Sb3 2 2.9944(7) yes
Zr3 Sb5 2 2.9958(6) yes
Zr3 Sb5 2_565 2.9958(6) ?
Zr3 Sb6 1_556 2.9975(8) yes
Zr3 Sb3 6_657 3.1616(9) yes
Zr3 Ni1 . 3.2730(12) no
Ni1 Sb7 . 2.5728(10) yes
Ni1 Sb2 2 2.5875(7) yes
Ni1 Sb2 2_565 2.5875(7) ?
Ni1 Sb1 2_565 2.6140(7) ?
Ni1 Sb1 2 2.6140(7) yes
Ni1 Sb4 6_657 2.7141(10) yes
Sb1 Ni1 2_554 2.6139(7) ?
Sb1 Ni1 2_564 2.6139(7) ?
Sb1 Zr3 2_564 2.9570(6) ?
Sb1 Zr3 2_554 2.9570(6) ?
Sb1 Zr1 6_556 3.0669(8) ?
Sb1 Sb2 . 3.1998(8) yes
Sb1 Sb3 5_566 3.2645(6) yes
Sb1 Sb3 5_556 3.2645(6) ?
Sb1 Sb4 5_556 3.2981(6) yes
Sb1 Sb4 5_566 3.2981(6) ?
Sb2 Ni1 2_564 2.5876(7) ?
Sb2 Ni1 2_554 2.5876(7) ?
Sb2 Zr2 2_554 2.9604(6) ?
Sb2 Zr2 2_564 2.9604(6) ?
Sb2 Zr2 6_556 3.0030(8) ?
Sb2 Sb2 5 3.2250(7) yes
Sb2 Sb2 5_565 3.2250(7) ?
Sb2 Sb4 5_556 3.3111(6) yes
Sb2 Sb4 5_566 3.3111(6) ?
Sb3 Zr3 2_554 2.9943(7) ?
Sb3 Zr3 2_564 2.9943(7) ?
Sb3 Zr1 2_565 3.0720(7) ?
Sb3 Zr1 2 3.0720(7) ?
Sb3 Zr3 6_557 3.1617(9) ?
Sb3 Sb1 5_566 3.2645(6) ?
Sb3 Sb1 5_556 3.2645(6) ?
Sb4 Ni1 6_557 2.7141(10) ?
Sb4 Zr2 2_565 2.9499(6) ?
Sb4 Zr2 2 2.9499(6) ?
Sb4 Zr1 2 2.9619(6) ?
Sb4 Zr1 2_565 2.9619(6) ?
Sb4 Sb1 5_556 3.2981(6) ?
Sb4 Sb1 5_566 3.2981(6) ?
Sb4 Sb2 5_556 3.3111(6) ?
Sb4 Sb2 5_566 3.3110(6) ?
Sb5 Zr3 2_554 2.9958(6) ?
Sb5 Zr3 2_564 2.9958(6) ?
Sb5 Sb7 2_554 3.1380(6) yes
Sb5 Sb7 2_564 3.1380(6) ?
Sb5 Sb6 2_565 3.1387(6) ?
Sb5 Sb6 2 3.1387(6) yes
Sb6 Zr2 2_554 2.9478(6) ?
Sb6 Zr2 2_564 2.9478(6) ?
Sb6 Zr3 1_554 2.9974(8) ?
Sb6 Sb5 2_554 3.1388(6) ?
Sb6 Sb5 2_564 3.1388(6) ?
Sb6 Sb7 2_564 3.1393(6) yes
Sb6 Sb7 2_554 3.1393(6) ?
Sb7 Zr1 2 3.0960(6) ?
Sb7 Zr1 2_565 3.0960(6) ?
Sb7 Sb5 2_565 3.1380(6) ?
Sb7 Sb5 2 3.1380(6) ?
Sb7 Sb6 2 3.1393(6) ?
Sb7 Sb6 2_565 3.1393(6) ?
