#------------------------------------------------------------------------------
#$Date: 2016-03-18 00:22:35 +0200 (Fri, 18 Mar 2016) $
#$Revision: 178245 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/40/1004006.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_1004006
loop_
_publ_author_name
'Reynolds, Thomas K.'
'Bales, Joshua G.'
'DiSalvo, Francis J.'
_publ_section_title
;
 Synthesis and Properties of a New Metal-Rich Nickel Antimonide
 Telluride or Selenide: Ni~7-δ~SbX₂ (δ ≈ 1.3; X = Se or Te)
;
_journal_coden_ASTM              CMATEX
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4746
_journal_page_last               4751
_journal_paper_doi               10.1021/cm020585r
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'Ni5.66 Sb Te2'
_chemical_formula_weight         709.25
_chemical_name_common            'Nickel Antimonide Telluride'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_atom_sites_solution_hydrogens   geom
_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                   3.7824(5)
_cell_length_b                   3.7824(5)
_cell_length_c                   19.244(4)
_cell_measurement_temperature    164(2)
_cell_volume                     275.32(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  'WingX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Sir92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      164(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'ω and φ'
_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  0.0320
_diffrn_reflns_av_sigmaI/netI    0.0159
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            1703
_diffrn_reflns_theta_full        30.42
_diffrn_reflns_theta_max         30.42
_diffrn_reflns_theta_min         4.24
_exptl_absorpt_coefficient_mu    34.002
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    8.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             627
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.069
_refine_diff_density_min         -3.461
_refine_diff_density_rms         0.531
_refine_ls_extinction_coef       0.0248(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     17
_refine_ls_number_reflns         159
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0225
_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)+(0.0340P)²+5.3532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0537
_refine_ls_wR_factor_ref         0.0541
_reflns_number_gt                158
_reflns_number_total             159
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             4000202
_cod_data_source_file            Ni5.66SbTe2
_cod_data_source_block           cm020585r.cif
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' 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 
;
_cod_original_sg_symbol_H-M      'I 4/mmm'
_cod_database_code               1004006
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x, -y, -z'
'-x, y, -z'
'-y, -x, -z'
'y, x, -z'
'y, -x, z'
'-y, x, 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'
'-y+1/2, -x+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'-x, -y, -z'
'x, y, -z'
'-x, y, z'
'x, -y, z'
'y, x, z'
'-y, -x, z'
'-y, x, -z'
'y, -x, -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'
'y+1/2, x+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'y+1/2, -x+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
Te1 Te 0.0000 0.0000 0.18143(3) 0.0043(3) Uani 1 8 d S . .
Sb1 Sb 0.0000 0.0000 0.5000 0.0029(3) Uani 1 16 d S . .
Ni1 Ni 0.0000 0.0000 0.0000 0.0034(4) Uani 1 16 d S . .
Ni2 Ni 0.0000 0.5000 0.09372(5) 0.0041(3) Uani 1 4 d S . .
Ni3 Ni 0.0000 0.0000 0.3098(2) 0.0057(14) Uani 0.330(8) 8 d SP . .
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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
Ni3 Te1 Ni2 131.747(18) . 21_455 ?
Ni3 Te1 Ni2 131.747(18) . 1_545 ?
Ni2 Te1 Ni2 63.68(2) 21_455 1_545 ?
Ni3 Te1 Ni2 131.747(18) . . ?
Ni2 Te1 Ni2 63.68(2) 21_455 . ?
Ni2 Te1 Ni2 96.51(4) 1_545 . ?
Ni3 Te1 Ni2 131.747(18) . 21 ?
Ni2 Te1 Ni2 96.51(4) 21_455 21 ?
Ni2 Te1 Ni2 63.68(2) 1_545 21 ?
Ni2 Te1 Ni2 63.68(2) . 21 ?
Ni3 Te1 Ni3 86.38(9) . 25 ?
Ni2 Te1 Ni3 124.65(7) 21_455 25 ?
Ni2 Te1 Ni3 124.65(7) 1_545 25 ?
Ni2 Te1 Ni3 61.02(7) . 25 ?
Ni2 Te1 Ni3 61.02(7) 21 25 ?
Ni3 Te1 Ni3 86.38(9) . 25_445 ?
Ni2 Te1 Ni3 61.02(7) 21_455 25_445 ?
Ni2 Te1 Ni3 61.02(7) 1_545 25_445 ?
Ni2 Te1 Ni3 124.65(7) . 25_445 ?
Ni2 Te1 Ni3 124.65(7) 21 25_445 ?
Ni3 Te1 Ni3 172.76(17) 25 25_445 ?
Ni3 Te1 Ni3 86.38(9) . 25_545 ?
Ni2 Te1 Ni3 124.65(7) 21_455 25_545 ?
Ni2 Te1 Ni3 61.02(7) 1_545 25_545 ?
Ni2 Te1 Ni3 124.65(7) . 25_545 ?
Ni2 Te1 Ni3 61.02(7) 21 25_545 ?
Ni3 Te1 Ni3 89.772(11) 25 25_545 ?
Ni3 Te1 Ni3 89.772(11) 25_445 25_545 ?
Ni3 Te1 Ni3 86.38(9) . 25_455 ?
Ni2 Te1 Ni3 61.02(7) 21_455 25_455 ?
Ni2 Te1 Ni3 124.65(7) 1_545 25_455 ?
Ni2 Te1 Ni3 61.02(7) . 25_455 ?
Ni2 Te1 Ni3 124.65(7) 21 25_455 ?
Ni3 Te1 Ni3 89.772(11) 25 25_455 ?
Ni3 Te1 Ni3 89.772(11) 25_445 25_455 ?
Ni3 Te1 Ni3 172.76(17) 25_545 25_455 ?
Ni2 Sb1 Ni2 180.0 29_455 13_545 ?
Ni2 Sb1 Ni2 118.444(18) 29_455 25_455 ?
Ni2 Sb1 Ni2 61.556(18) 13_545 25_455 ?
Ni2 Sb1 Ni2 61.556(18) 29_455 9_545 ?
Ni2 Sb1 Ni2 118.444(18) 13_545 9_545 ?
Ni2 Sb1 Ni2 180.00(3) 25_455 9_545 ?
Ni2 Sb1 Ni2 92.72(3) 29_455 29_445 ?
Ni2 Sb1 Ni2 87.28(3) 13_545 29_445 ?
Ni2 Sb1 Ni2 118.444(18) 25_455 29_445 ?
Ni2 Sb1 Ni2 61.556(18) 9_545 29_445 ?
Ni2 Sb1 Ni2 61.556(18) 29_455 9_445 ?
Ni2 Sb1 Ni2 118.444(18) 13_545 9_445 ?
Ni2 Sb1 Ni2 87.28(3) 25_455 9_445 ?
Ni2 Sb1 Ni2 92.72(3) 9_545 9_445 ?
Ni2 Sb1 Ni2 61.556(18) 29_445 9_445 ?
Ni2 Sb1 Ni2 87.28(3) 29_455 13 ?
Ni2 Sb1 Ni2 92.72(3) 13_545 13 ?
Ni2 Sb1 Ni2 61.556(18) 25_455 13 ?
Ni2 Sb1 Ni2 118.444(18) 9_545 13 ?
Ni2 Sb1 Ni2 180.0 29_445 13 ?
Ni2 Sb1 Ni2 118.444(18) 9_445 13 ?
Ni2 Sb1 Ni2 118.444(18) 29_455 25 ?
Ni2 Sb1 Ni2 61.556(18) 13_545 25 ?
Ni2 Sb1 Ni2 92.72(3) 25_455 25 ?
Ni2 Sb1 Ni2 87.28(3) 9_545 25 ?
Ni2 Sb1 Ni2 118.444(18) 29_445 25 ?
Ni2 Sb1 Ni2 180.0 9_445 25 ?
Ni2 Sb1 Ni2 61.556(18) 13 25 ?
Ni2 Sb1 Ni1 120.778(9) 29_455 9_445 ?
Ni2 Sb1 Ni1 59.222(9) 13_545 9_445 ?
Ni2 Sb1 Ni1 59.222(9) 25_455 9_445 ?
Ni2 Sb1 Ni1 120.778(9) 9_545 9_445 ?
Ni2 Sb1 Ni1 59.222(9) 29_445 9_445 ?
Ni2 Sb1 Ni1 59.222(9) 9_445 9_445 ?
Ni2 Sb1 Ni1 120.778(9) 13 9_445 ?
Ni2 Sb1 Ni1 120.778(9) 25 9_445 ?
Ni2 Sb1 Ni1 59.222(9) 29_455 9 ?
Ni2 Sb1 Ni1 120.778(9) 13_545 9 ?
Ni2 Sb1 Ni1 120.778(9) 25_455 9 ?
Ni2 Sb1 Ni1 59.222(9) 9_545 9 ?
Ni2 Sb1 Ni1 120.778(9) 29_445 9 ?
Ni2 Sb1 Ni1 120.778(9) 9_445 9 ?
Ni2 Sb1 Ni1 59.222(9) 13 9 ?
Ni2 Sb1 Ni1 59.222(9) 25 9 ?
Ni1 Sb1 Ni1 180.0 9_445 9 ?
Ni2 Sb1 Ni1 120.778(9) 29_455 9_545 ?
Ni2 Sb1 Ni1 59.222(9) 13_545 9_545 ?
Ni2 Sb1 Ni1 120.778(9) 25_455 9_545 ?
Ni2 Sb1 Ni1 59.222(9) 9_545 9_545 ?
Ni2 Sb1 Ni1 59.222(9) 29_445 9_545 ?
Ni2 Sb1 Ni1 120.778(9) 9_445 9_545 ?
Ni2 Sb1 Ni1 120.778(9) 13 9_545 ?
Ni2 Sb1 Ni1 59.222(9) 25 9_545 ?
Ni1 Sb1 Ni1 90.0 9_445 9_545 ?
Ni1 Sb1 Ni1 90.0 9 9_545 ?
Ni2 Sb1 Ni1 59.222(9) 29_455 9_455 ?
Ni2 Sb1 Ni1 120.778(9) 13_545 9_455 ?
Ni2 Sb1 Ni1 59.222(9) 25_455 9_455 ?
Ni2 Sb1 Ni1 120.778(9) 9_545 9_455 ?
Ni2 Sb1 Ni1 120.778(9) 29_445 9_455 ?
Ni2 Sb1 Ni1 59.222(9) 9_445 9_455 ?
Ni2 Sb1 Ni1 59.222(9) 13 9_455 ?
Ni2 Sb1 Ni1 120.778(9) 25 9_455 ?
Ni1 Sb1 Ni1 90.0 9_445 9_455 ?
Ni1 Sb1 Ni1 90.0 9 9_455 ?
Ni1 Sb1 Ni1 180.0 9_545 9_455 ?
Ni2 Ni1 Ni2 180.00(3) 21 5 ?
Ni2 Ni1 Ni2 118.444(18) 21 17 ?
Ni2 Ni1 Ni2 61.556(18) 5 17 ?
Ni2 Ni1 Ni2 61.556(18) 21 . ?
Ni2 Ni1 Ni2 118.444(18) 5 . ?
Ni2 Ni1 Ni2 180.00(3) 17 . ?
Ni2 Ni1 Ni2 92.72(3) 21 21_455 ?
Ni2 Ni1 Ni2 87.28(3) 5 21_455 ?
Ni2 Ni1 Ni2 118.444(18) 17 21_455 ?
Ni2 Ni1 Ni2 61.556(18) . 21_455 ?
Ni2 Ni1 Ni2 87.28(3) 21 5_655 ?
Ni2 Ni1 Ni2 92.72(3) 5 5_655 ?
Ni2 Ni1 Ni2 61.556(18) 17 5_655 ?
Ni2 Ni1 Ni2 118.444(18) . 5_655 ?
Ni2 Ni1 Ni2 180.00(3) 21_455 5_655 ?
Ni2 Ni1 Ni2 61.556(18) 21 1_545 ?
Ni2 Ni1 Ni2 118.444(18) 5 1_545 ?
Ni2 Ni1 Ni2 87.28(3) 17 1_545 ?
Ni2 Ni1 Ni2 92.72(3) . 1_545 ?
Ni2 Ni1 Ni2 61.556(18) 21_455 1_545 ?
Ni2 Ni1 Ni2 118.444(18) 5_655 1_545 ?
Ni2 Ni1 Ni2 118.444(18) 21 17_565 ?
Ni2 Ni1 Ni2 61.556(18) 5 17_565 ?
Ni2 Ni1 Ni2 92.72(3) 17 17_565 ?
Ni2 Ni1 Ni2 87.28(3) . 17_565 ?
Ni2 Ni1 Ni2 118.444(18) 21_455 17_565 ?
Ni2 Ni1 Ni2 61.556(18) 5_655 17_565 ?
Ni2 Ni1 Ni2 180.00(3) 1_545 17_565 ?
Ni2 Ni1 Sb1 59.222(9) 21 9_554 ?
Ni2 Ni1 Sb1 120.778(9) 5 9_554 ?
Ni2 Ni1 Sb1 120.778(9) 17 9_554 ?
Ni2 Ni1 Sb1 59.222(9) . 9_554 ?
Ni2 Ni1 Sb1 120.778(9) 21_455 9_554 ?
Ni2 Ni1 Sb1 59.222(9) 5_655 9_554 ?
Ni2 Ni1 Sb1 120.778(9) 1_545 9_554 ?
Ni2 Ni1 Sb1 59.222(9) 17_565 9_554 ?
Ni2 Ni1 Sb1 120.778(9) 21 9_444 ?
Ni2 Ni1 Sb1 59.222(9) 5 9_444 ?
Ni2 Ni1 Sb1 59.222(9) 17 9_444 ?
Ni2 Ni1 Sb1 120.778(9) . 9_444 ?
Ni2 Ni1 Sb1 59.222(9) 21_455 9_444 ?
Ni2 Ni1 Sb1 120.778(9) 5_655 9_444 ?
Ni2 Ni1 Sb1 59.222(9) 1_545 9_444 ?
Ni2 Ni1 Sb1 120.778(9) 17_565 9_444 ?
Sb1 Ni1 Sb1 180.0 9_554 9_444 ?
Ni2 Ni1 Sb1 120.778(9) 21 9_454 ?
Ni2 Ni1 Sb1 59.222(9) 5 9_454 ?
Ni2 Ni1 Sb1 120.778(9) 17 9_454 ?
Ni2 Ni1 Sb1 59.222(9) . 9_454 ?
Ni2 Ni1 Sb1 59.222(9) 21_455 9_454 ?
Ni2 Ni1 Sb1 120.778(9) 5_655 9_454 ?
Ni2 Ni1 Sb1 120.778(9) 1_545 9_454 ?
Ni2 Ni1 Sb1 59.222(9) 17_565 9_454 ?
Sb1 Ni1 Sb1 90.0 9_554 9_454 ?
Sb1 Ni1 Sb1 90.0 9_444 9_454 ?
Ni2 Ni1 Sb1 59.222(9) 21 9_544 ?
Ni2 Ni1 Sb1 120.778(9) 5 9_544 ?
Ni2 Ni1 Sb1 59.222(9) 17 9_544 ?
Ni2 Ni1 Sb1 120.778(9) . 9_544 ?
Ni2 Ni1 Sb1 120.778(9) 21_455 9_544 ?
Ni2 Ni1 Sb1 59.222(9) 5_655 9_544 ?
Ni2 Ni1 Sb1 59.222(9) 1_545 9_544 ?
Ni2 Ni1 Sb1 120.778(9) 17_565 9_544 ?
Sb1 Ni1 Sb1 90.0 9_554 9_544 ?
Sb1 Ni1 Sb1 90.0 9_444 9_544 ?
Sb1 Ni1 Sb1 180.0 9_454 9_544 ?
Te1 Ni2 Te1 96.51(4) 1_565 . ?
Te1 Ni2 Sb1 117.357(10) 1_565 9_454 ?
Te1 Ni2 Sb1 117.357(10) . 9_454 ?
Te1 Ni2 Ni1 178.11(3) 1_565 . ?
Te1 Ni2 Ni1 85.389(18) . . ?
Sb1 Ni2 Ni1 61.556(18) 9_454 . ?
Te1 Ni2 Ni1 85.389(18) 1_565 1_565 ?
Te1 Ni2 Ni1 178.11(3) . 1_565 ?
Sb1 Ni2 Ni1 61.556(18) 9_454 1_565 ?
Ni1 Ni2 Ni1 92.72(3) . 1_565 ?
Te1 Ni2 Sb1 117.357(10) 1_565 9_554 ?
Te1 Ni2 Sb1 117.357(10) . 9_554 ?
Sb1 Ni2 Sb1 92.72(3) 9_454 9_554 ?
Ni1 Ni2 Sb1 61.556(18) . 9_554 ?
Ni1 Ni2 Sb1 61.556(18) 1_565 9_554 ?
Te1 Ni2 Ni3 62.19(3) 1_565 25 ?
Te1 Ni2 Ni3 62.19(3) . 25 ?
Sb1 Ni2 Ni3 179.16(6) 9_454 25 ?
Ni1 Ni2 Ni3 118.92(4) . 25 ?
Ni1 Ni2 Ni3 118.92(4) 1_565 25 ?
Sb1 Ni2 Ni3 88.12(6) 9_554 25 ?
Te1 Ni2 Ni3 62.19(3) 1_565 25_455 ?
Te1 Ni2 Ni3 62.19(3) . 25_455 ?
Sb1 Ni2 Ni3 88.12(6) 9_454 25_455 ?
Ni1 Ni2 Ni3 118.92(4) . 25_455 ?
Ni1 Ni2 Ni3 118.92(4) 1_565 25_455 ?
Sb1 Ni2 Ni3 179.16(6) 9_554 25_455 ?
Ni3 Ni2 Ni3 91.04(12) 25 25_455 ?
Te1 Ni2 Ni2 121.841(10) 1_565 21_455 ?
Te1 Ni2 Ni2 58.159(10) . 21_455 ?
Sb1 Ni2 Ni2 59.222(9) 9_454 21_455 ?
Ni1 Ni2 Ni2 59.222(9) . 21_455 ?
Ni1 Ni2 Ni2 120.778(9) 1_565 21_455 ?
Sb1 Ni2 Ni2 120.778(9) 9_554 21_455 ?
Ni3 Ni2 Ni2 120.30(3) 25 21_455 ?
Ni3 Ni2 Ni2 59.70(3) 25_455 21_455 ?
Te1 Ni2 Ni2 58.159(10) 1_565 21_565 ?
Te1 Ni2 Ni2 121.841(10) . 21_565 ?
Sb1 Ni2 Ni2 120.778(9) 9_454 21_565 ?
Ni1 Ni2 Ni2 120.778(9) . 21_565 ?
Ni1 Ni2 Ni2 59.222(9) 1_565 21_565 ?
Sb1 Ni2 Ni2 59.222(9) 9_554 21_565 ?
Ni3 Ni2 Ni2 59.70(3) 25 21_565 ?
Ni3 Ni2 Ni2 120.30(3) 25_455 21_565 ?
Ni2 Ni2 Ni2 180.0 21_455 21_565 ?
Te1 Ni2 Ni2 58.159(10) 1_565 21_465 ?
Te1 Ni2 Ni2 121.841(10) . 21_465 ?
Sb1 Ni2 Ni2 59.222(9) 9_454 21_465 ?
Ni1 Ni2 Ni2 120.778(9) . 21_465 ?
Ni1 Ni2 Ni2 59.222(9) 1_565 21_465 ?
Sb1 Ni2 Ni2 120.778(9) 9_554 21_465 ?
Ni3 Ni2 Ni2 120.30(3) 25 21_465 ?
Ni3 Ni2 Ni2 59.70(3) 25_455 21_465 ?
Ni2 Ni2 Ni2 90.0 21_455 21_465 ?
Ni2 Ni2 Ni2 90.0 21_565 21_465 ?
Te1 Ni2 Ni2 121.841(10) 1_565 21 ?
Te1 Ni2 Ni2 58.159(10) . 21 ?
Sb1 Ni2 Ni2 120.778(9) 9_454 21 ?
Ni1 Ni2 Ni2 59.222(9) . 21 ?
Ni1 Ni2 Ni2 120.778(9) 1_565 21 ?
Sb1 Ni2 Ni2 59.222(9) 9_554 21 ?
Ni3 Ni2 Ni2 59.70(3) 25 21 ?
Ni3 Ni2 Ni2 120.30(3) 25_455 21 ?
Ni2 Ni2 Ni2 90.0 21_455 21 ?
Ni2 Ni2 Ni2 90.0 21_565 21 ?
Ni2 Ni2 Ni2 180.0 21_465 21 ?
Te1 Ni3 Ni2 134.48(6) . 13 ?
Te1 Ni3 Ni2 134.48(6) . 25 ?
Ni2 Ni3 Ni2 60.60(7) 13 25 ?
Te1 Ni3 Ni2 134.48(6) . 13_545 ?
Ni2 Ni3 Ni2 91.04(12) 13 13_545 ?
Ni2 Ni3 Ni2 60.60(7) 25 13_545 ?
Te1 Ni3 Ni2 134.48(6) . 25_455 ?
Ni2 Ni3 Ni2 60.60(7) 13 25_455 ?
Ni2 Ni3 Ni2 91.04(12) 25 25_455 ?
Ni2 Ni3 Ni2 60.60(7) 13_545 25_455 ?
Te1 Ni3 Te1 93.62(9) . 25 ?
Ni2 Ni3 Te1 56.79(4) 13 25 ?
Ni2 Ni3 Te1 56.79(4) 25 25 ?
Ni2 Ni3 Te1 117.34(11) 13_545 25 ?
Ni2 Ni3 Te1 117.34(11) 25_455 25 ?
Te1 Ni3 Te1 93.62(9) . 25_445 ?
Ni2 Ni3 Te1 117.34(11) 13 25_445 ?
Ni2 Ni3 Te1 117.34(11) 25 25_445 ?
Ni2 Ni3 Te1 56.79(4) 13_545 25_445 ?
Ni2 Ni3 Te1 56.79(4) 25_455 25_445 ?
Te1 Ni3 Te1 172.76(17) 25 25_445 ?
Te1 Ni3 Te1 93.62(9) . 25_545 ?
Ni2 Ni3 Te1 117.34(11) 13 25_545 ?
Ni2 Ni3 Te1 56.79(4) 25 25_545 ?
Ni2 Ni3 Te1 56.79(4) 13_545 25_545 ?
Ni2 Ni3 Te1 117.34(11) 25_455 25_545 ?
Te1 Ni3 Te1 89.772(11) 25 25_545 ?
Te1 Ni3 Te1 89.772(11) 25_445 25_545 ?
Te1 Ni3 Te1 93.62(9) . 25_455 ?
Ni2 Ni3 Te1 56.79(4) 13 25_455 ?
Ni2 Ni3 Te1 117.34(11) 25 25_455 ?
Ni2 Ni3 Te1 117.34(11) 13_545 25_455 ?
Ni2 Ni3 Te1 56.79(4) 25_455 25_455 ?
Te1 Ni3 Te1 89.772(11) 25 25_455 ?
Te1 Ni3 Te1 89.772(11) 25_445 25_455 ?
Te1 Ni3 Te1 172.76(17) 25_545 25_455 ?
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
Te1 Ni3 2.470(4) . ?
Te1 Ni2 2.5348(7) 21_455 ?
Te1 Ni2 2.5348(7) 1_545 ?
Te1 Ni2 2.5348(7) . ?
Te1 Ni2 2.5348(7) 21 ?
Te1 Ni3 2.6799(4) 25 ?
Te1 Ni3 2.6799(4) 25_445 ?
Te1 Ni3 2.6799(4) 25_545 ?
Te1 Ni3 2.6799(4) 25_455 ?
Sb1 Ni2 2.6133(7) 29_455 ?
Sb1 Ni2 2.6133(7) 13_545 ?
Sb1 Ni2 2.6133(7) 25_455 ?
Sb1 Ni2 2.6133(7) 9_545 ?
Sb1 Ni2 2.6133(7) 29_445 ?
Sb1 Ni2 2.6133(7) 9_445 ?
Sb1 Ni2 2.6133(7) 13 ?
Sb1 Ni2 2.6133(7) 25 ?
Sb1 Ni1 2.6746(4) 9_445 ?
Sb1 Ni1 2.6746(4) 9 ?
Sb1 Ni1 2.6746(4) 9_545 ?
Sb1 Ni1 2.6746(4) 9_455 ?
Ni1 Ni2 2.6133(7) 21 ?
Ni1 Ni2 2.6133(7) 5 ?
Ni1 Ni2 2.6133(7) 17 ?
Ni1 Ni2 2.6133(7) . ?
Ni1 Ni2 2.6133(7) 21_455 ?
Ni1 Ni2 2.6133(7) 5_655 ?
Ni1 Ni2 2.6133(7) 1_545 ?
Ni1 Ni2 2.6133(7) 17_565 ?
Ni1 Sb1 2.6746(4) 9_554 ?
Ni1 Sb1 2.6746(4) 9_444 ?
Ni1 Sb1 2.6746(4) 9_454 ?
Ni1 Sb1 2.6746(4) 9_544 ?
Ni2 Te1 2.5348(7) 1_565 ?
Ni2 Sb1 2.6133(7) 9_454 ?
Ni2 Ni1 2.6133(7) 1_565 ?
Ni2 Sb1 2.6133(7) 9_554 ?
Ni2 Ni3 2.651(3) 25 ?
Ni2 Ni3 2.651(3) 25_455 ?
Ni2 Ni2 2.6746(4) 21_455 ?
Ni2 Ni2 2.6746(4) 21_565 ?
Ni2 Ni2 2.6746(4) 21_465 ?
Ni2 Ni2 2.6746(4) 21 ?
Ni3 Ni2 2.651(3) 13 ?
Ni3 Ni2 2.651(3) 25 ?
Ni3 Ni2 2.651(3) 13_545 ?
Ni3 Ni2 2.651(3) 25_455 ?
Ni3 Te1 2.6799(4) 25 ?
Ni3 Te1 2.6799(4) 25_445 ?
Ni3 Te1 2.6799(4) 25_545 ?
Ni3 Te1 2.6799(4) 25_455 ?
