#------------------------------------------------------------------------------
#$Date: 2019-10-07 08:47:08 +0200 (lun 07 de oct de 2019) $
#$Revision: 219115 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/43/7234397.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_7234397
loop_
_publ_author_name
'Weiwei Xie'
'Huixia Luo'
'Brendan F. Phelan'
'Robert J. Cava'
_publ_section_title
;
 Zr5Sb3-xRux, a new superconductor in the W5Si3 structure type
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              8235
_journal_page_last               8240
_journal_paper_doi               10.1039/C5TC01818H
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'Ru0.64 Sb2.36 Zr5'
_chemical_formula_weight         808.06
_space_group_crystal_system      tetragonal
_space_group_IT_number           140
_space_group_name_Hall           '-I 4 2c'
_space_group_name_H-M_alt        'I 4/m c m'
_atom_sites_solution_hydrogens   .
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.083(3)
_cell_length_b                   11.083(3)
_cell_length_c                   5.5752(17)
_cell_measurement_reflns_used    3221
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      29.50
_cell_measurement_theta_min      2.60
_cell_volume                     684.8(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_unetI/netI     0.0108
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            5685
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.576
_diffrn_reflns_theta_min         3.677
_exptl_absorpt_coefficient_mu    17.696
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6270
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Metallic
_exptl_crystal_density_diffrn    7.838
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'Not measured'
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             1394
_exptl_crystal_size_max          0.020
_exptl_crystal_size_mid          0.015
_exptl_crystal_size_min          0.005
_refine_diff_density_max         0.710
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.129
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.175
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     16
_refine_ls_number_reflns         284
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.175
_refine_ls_R_factor_all          0.0121
_refine_ls_R_factor_gt           0.0100
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0046P)²+2.6691P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0195
_refine_ls_wR_factor_ref         0.0198
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                263
_reflns_number_total             284
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            J-Mater-Chem-C-2015-3-8235.cif
_cod_data_source_block           mo_Wei456a_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

data item '_exptl_crystal_density_meas' value 'None' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        684.8(4)
_cod_database_code               7234397
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, y, -z+1/2'
'x, -y, -z+1/2'
'y, x, -z+1/2'
'-y, -x, -z+1/2'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1'
'x+1/2, -y+1/2, -z+1'
'y+1/2, x+1/2, -z+1'
'-y+1/2, -x+1/2, -z+1'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z-1/2'
'-x, y, z-1/2'
'-y, -x, z-1/2'
'y, x, z-1/2'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-y+1/2, -x+1/2, z'
'y+1/2, x+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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.33683(2) 0.16317(2) 0.5000 0.00794(8) Uani 1 4 d S T P . .
Ru2 Ru 0.0000 0.0000 0.2500 0.01061(15) Uani 0.642(13) 8 d S T P . .
Sb2 Sb 0.0000 0.0000 0.2500 0.01061(15) Uani 0.358(13) 8 d S T P . .
Zr3 Zr 0.07604(3) 0.21414(3) 0.5000 0.00845(8) Uani 1 2 d S T P . .
Zr4 Zr 0.5000 0.0000 0.2500 0.00787(12) Uani 1 8 d S T P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Zr Zr -2.9673 0.5597 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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
Zr4 Sb1 Zr4 57.18(2) 17_656 .
Zr4 Sb1 Zr3 136.757(8) 17_656 31
Zr4 Sb1 Zr3 136.757(8) . 31
Zr4 Sb1 Zr3 136.757(8) 17_656 .
Zr4 Sb1 Zr3 136.757(8) . .
Zr3 Sb1 Zr3 67.882(13) 31 .
Zr4 Sb1 Zr3 74.389(7) 17_656 29
Zr4 Sb1 Zr3 74.389(7) . 29
Zr3 Sb1 Zr3 73.907(12) 31 29
Zr3 Sb1 Zr3 141.788(8) . 29
Zr4 Sb1 Zr3 74.389(7) 17_656 19_556
Zr4 Sb1 Zr3 74.389(7) . 19_556
Zr3 Sb1 Zr3 141.787(8) 31 19_556
Zr3 Sb1 Zr3 73.906(12) . 19_556
Zr3 Sb1 Zr3 144.306(16) 29 19_556
Zr4 Sb1 Zr3 70.407(14) 17_656 25_556
Zr4 Sb1 Zr3 119.078(13) . 25_556
Zr3 Sb1 Zr3 69.280(10) 31 25_556
Zr3 Sb1 Zr3 102.207(9) . 25_556
Zr3 Sb1 Zr3 62.901(11) 29 25_556
Zr3 Sb1 Zr3 120.538(12) 19_556 25_556
Zr4 Sb1 Zr3 119.078(13) 17_656 7
Zr4 Sb1 Zr3 70.407(14) . 7
Zr3 Sb1 Zr3 102.207(9) 31 7
Zr3 Sb1 Zr3 69.280(10) . 7
Zr3 Sb1 Zr3 120.538(12) 29 7
Zr3 Sb1 Zr3 62.901(11) 19_556 7
Zr3 Sb1 Zr3 170.156(15) 25_556 7
Zr4 Sb1 Zr3 70.407(14) 17_656 7_556
Zr4 Sb1 Zr3 119.078(13) . 7_556
Zr3 Sb1 Zr3 102.207(9) 31 7_556
Zr3 Sb1 Zr3 69.280(10) . 7_556
Zr3 Sb1 Zr3 120.538(12) 29 7_556
Zr3 Sb1 Zr3 62.901(11) 19_556 7_556
Zr3 Sb1 Zr3 60.82(2) 25_556 7_556
Zr3 Sb1 Zr3 118.22(2) 7 7_556
Zr4 Sb1 Zr3 119.078(13) 17_656 25
Zr4 Sb1 Zr3 70.407(14) . 25
Zr3 Sb1 Zr3 69.280(10) 31 25
Zr3 Sb1 Zr3 102.207(9) . 25
Zr3 Sb1 Zr3 62.901(11) 29 25
Zr3 Sb1 Zr3 120.538(12) 19_556 25
Zr3 Sb1 Zr3 118.22(2) 25_556 25
Zr3 Sb1 Zr3 60.82(2) 7 25
Zr3 Sb1 Zr3 170.156(15) 7_556 25
Sb2 Ru2 Sb2 180.0 17_556 17
Sb2 Ru2 Ru2 180.0 17_556 17
Sb2 Ru2 Ru2 0.0 17 17
Sb2 Ru2 Ru2 0.0 17_556 17_556
Sb2 Ru2 Ru2 180.0 17 17_556
Ru2 Ru2 Ru2 180.0 17 17_556
Sb2 Ru2 Zr3 61.038(11) 17_556 .
Sb2 Ru2 Zr3 118.962(11) 17 .
Ru2 Ru2 Zr3 118.962(11) 17 .
Ru2 Ru2 Zr3 61.038(11) 17_556 .
Sb2 Ru2 Zr3 118.961(11) 17_556 23
Sb2 Ru2 Zr3 61.039(11) 17 23
Ru2 Ru2 Zr3 61.039(11) 17 23
Ru2 Ru2 Zr3 118.961(11) 17_556 23
Zr3 Ru2 Zr3 135.830(12) . 23
Sb2 Ru2 Zr3 61.039(11) 17_556 19_556
Sb2 Ru2 Zr3 118.961(11) 17 19_556
Ru2 Ru2 Zr3 118.961(11) 17 19_556
Ru2 Ru2 Zr3 61.039(11) 17_556 19_556
Zr3 Ru2 Zr3 76.439(9) . 19_556
Zr3 Ru2 Zr3 145.951(12) 23 19_556
Sb2 Ru2 Zr3 118.961(11) 17_556 21
Sb2 Ru2 Zr3 61.039(11) 17 21
Ru2 Ru2 Zr3 61.039(11) 17 21
Ru2 Ru2 Zr3 118.961(11) 17_556 21
Zr3 Ru2 Zr3 145.951(12) . 21
Zr3 Ru2 Zr3 76.440(9) 23 21
Zr3 Ru2 Zr3 75.621(17) 19_556 21
Sb2 Ru2 Zr3 61.039(10) 17_556 17_556
Sb2 Ru2 Zr3 118.961(10) 17 17_556
Ru2 Ru2 Zr3 118.961(10) 17 17_556
Ru2 Ru2 Zr3 61.039(10) 17_556 17_556
Zr3 Ru2 Zr3 122.08(2) . 17_556
Zr3 Ru2 Zr3 75.621(18) 23 17_556
Zr3 Ru2 Zr3 76.440(9) 19_556 17_556
Zr3 Ru2 Zr3 68.923(18) 21 17_556
Sb2 Ru2 Zr3 118.961(10) 17_556 7
Sb2 Ru2 Zr3 61.039(10) 17 7
Ru2 Ru2 Zr3 61.039(10) 17 7
Ru2 Ru2 Zr3 118.961(10) 17_556 7
Zr3 Ru2 Zr3 75.621(18) . 7
Zr3 Ru2 Zr3 122.08(2) 23 7
Zr3 Ru2 Zr3 68.923(18) 19_556 7
Zr3 Ru2 Zr3 76.440(9) 21 7
Zr3 Ru2 Zr3 135.830(12) 17_556 7
Sb2 Ru2 Zr3 118.961(11) 17_556 5
Sb2 Ru2 Zr3 61.039(10) 17 5
Ru2 Ru2 Zr3 61.039(10) 17 5
Ru2 Ru2 Zr3 118.961(11) 17_556 5
Zr3 Ru2 Zr3 68.924(18) . 5
Zr3 Ru2 Zr3 76.440(9) 23 5
Zr3 Ru2 Zr3 135.830(12) 19_556 5
Zr3 Ru2 Zr3 122.08(2) 21 5
Zr3 Ru2 Zr3 145.951(12) 17_556 5
Zr3 Ru2 Zr3 76.440(9) 7 5
Sb2 Ru2 Zr3 61.039(10) 17_556 3
Sb2 Ru2 Zr3 118.961(11) 17 3
Ru2 Ru2 Zr3 118.961(11) 17 3
Ru2 Ru2 Zr3 61.039(10) 17_556 3
Zr3 Ru2 Zr3 76.440(9) . 3
Zr3 Ru2 Zr3 68.923(18) 23 3
Zr3 Ru2 Zr3 122.08(2) 19_556 3
Zr3 Ru2 Zr3 135.830(12) 21 3
Zr3 Ru2 Zr3 76.440(9) 17_556 3
Zr3 Ru2 Zr3 145.951(12) 7 3
Zr3 Ru2 Zr3 75.621(18) 5 3
Ru2 Zr3 Sb2 57.92(2) . 17_556
Ru2 Zr3 Ru2 57.92(2) . 17_556
Sb2 Zr3 Ru2 0.0 17_556 17_556
Ru2 Zr3 Sb1 97.423(8) . .
Sb2 Zr3 Sb1 97.423(8) 17_556 .
Ru2 Zr3 Sb1 97.423(8) 17_556 .
Ru2 Zr3 Sb1 96.648(9) . 3
Sb2 Zr3 Sb1 96.648(9) 17_556 3
Ru2 Zr3 Sb1 96.648(9) 17_556 3
Sb1 Zr3 Sb1 163.905(12) . 3
Ru2 Zr3 Sb1 147.963(8) . 25_556
Sb2 Zr3 Sb1 90.95(2) 17_556 25_556
Ru2 Zr3 Sb1 90.95(2) 17_556 25_556
Sb1 Zr3 Sb1 77.792(9) . 25_556
Sb1 Zr3 Sb1 94.213(10) 3 25_556
Ru2 Zr3 Sb1 90.95(2) . 25
Sb2 Zr3 Sb1 147.963(8) 17_556 25
Ru2 Zr3 Sb1 147.963(8) 17_556 25
Sb1 Zr3 Sb1 77.793(9) . 25
Sb1 Zr3 Sb1 94.213(10) 3 25
Sb1 Zr3 Sb1 118.22(2) 25_556 25
Ru2 Zr3 Zr3 55.539(9) . 5
Sb2 Zr3 Zr3 105.242(17) 17_556 5
Ru2 Zr3 Zr3 105.242(17) 17_556 5
Sb1 Zr3 Zr3 120.518(14) . 5
Sb1 Zr3 Zr3 62.587(12) 3 5
Sb1 Zr3 Zr3 152.641(12) 25_556 5
Sb1 Zr3 Zr3 54.511(18) 25 5
Ru2 Zr3 Zr3 105.242(16) . 5_556
Sb2 Zr3 Zr3 55.539(9) 17_556 5_556
Ru2 Zr3 Zr3 55.539(9) 17_556 5_556
Sb1 Zr3 Zr3 120.518(13) . 5_556
Sb1 Zr3 Zr3 62.587(12) 3 5_556
Sb1 Zr3 Zr3 54.511(18) 25_556 5_556
Sb1 Zr3 Zr3 152.641(13) 25 5_556
Zr3 Zr3 Zr3 117.68(3) 5 5_556
Ru2 Zr3 Zr3 142.189(9) . 31
Sb2 Zr3 Zr3 142.189(8) 17_556 31
Ru2 Zr3 Zr3 142.189(8) 17_556 31
Sb1 Zr3 Zr3 56.059(6) . 31
Sb1 Zr3 Zr3 107.846(8) 3 31
Sb1 Zr3 Zr3 59.590(11) 25_556 31
Sb1 Zr3 Zr3 59.590(12) 25 31
Zr3 Zr3 Zr3 111.460(9) 5 31
Zr3 Zr3 Zr3 111.460(9) 5_556 31
Ru2 Zr3 Zr3 98.736(17) . 7_556
Sb2 Zr3 Zr3 52.190(9) 17_556 7_556
Ru2 Zr3 Zr3 52.190(9) 17_556 7_556
Sb1 Zr3 Zr3 59.416(11) . 7_556
Sb1 Zr3 Zr3 125.717(12) 3 7_556
Sb1 Zr3 Zr3 51.303(17) 25_556 7_556
Sb1 Zr3 Zr3 136.922(16) 25 7_556
Zr3 Zr3 Zr3 154.197(8) 5 7_556
Zr3 Zr3 Zr3 63.16(2) 5_556 7_556
Zr3 Zr3 Zr3 90.0 31 7_556
Zr4 Zr4 Zr4 180.0 17_656 17_655
Zr4 Zr4 Sb1 61.409(11) 17_656 .
Zr4 Zr4 Sb1 118.591(11) 17_655 .
Zr4 Zr4 Sb1 118.590(11) 17_656 11_544
Zr4 Zr4 Sb1 61.410(10) 17_655 11_544
Sb1 Zr4 Sb1 103.239(9) . 11_544
Zr4 Zr4 Sb1 118.590(11) 17_656 27
Zr4 Zr4 Sb1 61.410(11) 17_655 27
Sb1 Zr4 Sb1 103.239(9) . 27
Sb1 Zr4 Sb1 122.82(2) 11_544 27
Zr4 Zr4 Sb1 61.410(11) 17_656 17_656
Zr4 Zr4 Sb1 118.590(11) 17_655 17_656
Sb1 Zr4 Sb1 122.82(2) . 17_656
Sb1 Zr4 Sb1 103.238(9) 11_544 17_656
Sb1 Zr4 Sb1 103.238(9) 27 17_656
Zr4 Zr4 Zr3 66.967(9) 17_656 29
Zr4 Zr4 Zr3 113.033(9) 17_655 29
Sb1 Zr4 Zr3 53.663(6) . 29
Sb1 Zr4 Zr3 152.413(5) 11_544 29
Sb1 Zr4 Zr3 59.214(16) 27 29
Sb1 Zr4 Zr3 102.595(12) 17_656 29
Zr4 Zr4 Zr3 66.967(9) 17_656 3_655
Zr4 Zr4 Zr3 113.033(9) 17_655 3_655
Sb1 Zr4 Zr3 102.595(12) . 3_655
Sb1 Zr4 Zr3 152.413(5) 11_544 3_655
Sb1 Zr4 Zr3 59.214(17) 27 3_655
Sb1 Zr4 Zr3 53.663(6) 17_656 3_655
Zr3 Zr4 Zr3 54.978(10) 29 3_655
Zr4 Zr4 Zr3 113.033(9) 17_656 9_544
Zr4 Zr4 Zr3 66.967(9) 17_655 9_544
Sb1 Zr4 Zr3 152.413(5) . 9_544
Sb1 Zr4 Zr3 53.663(7) 11_544 9_544
Sb1 Zr4 Zr3 102.595(12) 27 9_544
Sb1 Zr4 Zr3 59.214(16) 17_656 9_544
Zr3 Zr4 Zr3 152.631(10) 29 9_544
Zr3 Zr4 Zr3 98.806(6) 3_655 9_544
Zr4 Zr4 Zr3 113.033(9) 17_656 7
Zr4 Zr4 Zr3 66.967(9) 17_655 7
Sb1 Zr4 Zr3 59.214(16) . 7
Sb1 Zr4 Zr3 53.663(7) 11_544 7
Sb1 Zr4 Zr3 102.595(12) 27 7
Sb1 Zr4 Zr3 152.413(5) 17_656 7
Zr3 Zr4 Zr3 98.806(6) 29 7
Zr3 Zr4 Zr3 152.631(10) 3_655 7
Zr3 Zr4 Zr3 105.528(13) 9_544 7
Zr4 Zr4 Zr3 66.967(8) 17_656 13_545
Zr4 Zr4 Zr3 113.033(8) 17_655 13_545
Sb1 Zr4 Zr3 102.595(12) . 13_545
Sb1 Zr4 Zr3 59.214(17) 11_544 13_545
Sb1 Zr4 Zr3 152.413(5) 27 13_545
Sb1 Zr4 Zr3 53.663(6) 17_656 13_545
Zr3 Zr4 Zr3 133.933(18) 29 13_545
Zr3 Zr4 Zr3 105.528(13) 3_655 13_545
Zr3 Zr4 Zr3 54.417(16) 9_544 13_545
Zr3 Zr4 Zr3 98.806(6) 7 13_545
Zr4 Zr4 Zr3 66.967(8) 17_656 19_556
Zr4 Zr4 Zr3 113.033(8) 17_655 19_556
Sb1 Zr4 Zr3 53.663(6) . 19_556
Sb1 Zr4 Zr3 59.214(16) 11_544 19_556
Sb1 Zr4 Zr3 152.413(5) 27 19_556
Sb1 Zr4 Zr3 102.595(12) 17_656 19_556
Zr3 Zr4 Zr3 105.528(13) 29 19_556
Zr3 Zr4 Zr3 133.933(18) 3_655 19_556
Zr3 Zr4 Zr3 98.806(6) 9_544 19_556
Zr3 Zr4 Zr3 54.417(15) 7 19_556
Zr3 Zr4 Zr3 54.978(10) 13_545 19_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 Zr4 2.9126(7) 17_656
Sb1 Zr4 2.9126(7) .
Sb1 Zr3 2.9450(9) 31
Sb1 Zr3 2.9450(9) .
Sb1 Zr3 2.9795(9) 29
Sb1 Zr3 2.9795(9) 19_556
Sb1 Zr3 3.2484(8) 25_556
Sb1 Zr3 3.2484(8) 7
Sb1 Zr3 3.2484(8) 7_556
Sb1 Zr3 3.2484(8) 25
Ru2 Sb2 2.7876(9) 17_556
Ru2 Sb2 2.7876(9) 17
Ru2 Ru2 2.7876(9) 17
Ru2 Ru2 2.7876(9) 17_556
Ru2 Zr3 2.8784(7) .
Ru2 Zr3 2.8784(7) 23
Ru2 Zr3 2.8784(7) 19_556
Ru2 Zr3 2.8784(7) 21
Ru2 Zr3 2.8784(7) 17_556
Ru2 Zr3 2.8784(7) 7
Ru2 Zr3 2.8784(7) 5
Ru2 Zr3 2.8784(7) 3
Zr3 Sb2 2.8784(7) 17_556
Zr3 Ru2 2.8784(7) 17_556
Zr3 Sb1 2.9795(9) 3
Zr3 Sb1 3.2484(8) 25_556
Zr3 Sb1 3.2484(8) 25
Zr3 Zr3 3.2576(8) 5
Zr3 Zr3 3.2576(8) 5_556
Zr3 Zr3 3.2886(11) 31
Zr3 Zr3 3.5293(9) 7_556
Zr4 Zr4 2.7876(9) 17_656
Zr4 Zr4 2.7876(9) 17_655
Zr4 Sb1 2.9126(7) 11_544
Zr4 Sb1 2.9126(7) 27
Zr4 Sb1 2.9126(7) 17_656
Zr4 Zr3 3.5623(9) 29
Zr4 Zr3 3.5623(9) 3_655
Zr4 Zr3 3.5623(9) 9_544
Zr4 Zr3 3.5623(9) 7
Zr4 Zr3 3.5623(9) 13_545
Zr4 Zr3 3.5623(9) 19_556
