#------------------------------------------------------------------------------
#$Date: 2020-11-04 22:08:08 +0200 (Wed, 04 Nov 2020) $
#$Revision: 258733 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/57/7705738.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_7705738
loop_
_publ_author_name
'Stroganova, Ekaterina A.'
'Kazakov, Sergey M.'
'Efimov, Nikolay N.'
'Khrustalev, Victor N.'
'Keilholz, Simon'
'Götze, Andre'
'Kohlmann, Holger'
'Kuznetsov, Alexey N.'
_publ_section_title
;
 Nickel - p-block metal mixed chalcogenides based on AuCu₃-type
 fragments: iodine-assisted synthesis as a way of obtaining new
 structures.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15081
_journal_page_last               15094
_journal_paper_doi               10.1039/d0dt03082a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'Ga Ni5.8 Te2'
_chemical_formula_weight         665.44
_space_group_crystal_system      tetragonal
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_atom_sites_solution_primary     difmap
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-09-02 deposited with the CCDC.	2020-10-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.6911(5)
_cell_length_b                   3.6911(5)
_cell_length_c                   19.146(4)
_cell_measurement_reflns_used    100
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      2.5
_cell_volume                     260.85(7)
_computing_cell_refinement       'iMosflm (Battye et al., 2011)'
_computing_data_collection       'Marccd (Doyle, 2011)'
_computing_data_reduction        iMosflm
_computing_molecular_graphics    'VESTA 3'
_computing_publication_material  'VESTA 3'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rayonix SX165 CCD'
_diffrn_measurement_method       '/f scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.80246
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            1129
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        28.782
_diffrn_reflns_theta_max         30.946
_diffrn_reflns_theta_min         2.402
_diffrn_source                   beamline
_exptl_absorpt_coefficient_mu    53.103
_exptl_absorpt_correction_T_max  0.570
_exptl_absorpt_correction_T_min  0.020
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Scala (Evans, 2006)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    8.472
_exptl_crystal_description       plate
_exptl_crystal_F_000             595
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method 'From the Melt'
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.583
_refine_diff_density_min         -0.933
_refine_diff_density_rms         0.441
_refine_ls_extinction_coef       0.0026(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     17
_refine_ls_number_reflns         117
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0363
_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)+(0.0818P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.0970
_reflns_Friedel_coverage         0.000
_reflns_number_gt                108
_reflns_number_total             117
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03082a2.cif
_cod_data_source_block           ni6gate2
_cod_original_cell_volume        260.85(9)
_cod_original_formula_sum        'Ga Ni5.80 Te2'
_cod_database_code               7705738
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.026
_shelx_estimated_absorpt_t_max   0.619
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, y, -z'
'x, -y, -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'
'-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+1/2'
'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, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, 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'
'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+1/2'
'-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'
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
Te1 Te 0.500000 0.500000 0.32036(6) 0.0190(6) Uani 1 8 d S T P . .
Ga1 Ga 0.000000 0.000000 0.500000 0.0184(8) Uani 1 16 d S T P . .
Ni1 Ni 0.500000 0.000000 0.41082(10) 0.0187(7) Uani 1 4 d S T P . .
Ni2 Ni 0.500000 0.500000 0.1897(4) 0.024(3) Uani 0.397(16) 8 d S T . . .
Ni3 Ni 0.500000 0.500000 0.500000 0.0174(9) Uani 1 16 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
Ni Ni 0.3129 1.3851 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.0845 1.9916 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.3109 2.0861 '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
Ni2 Te1 Ni1 133.18(3) . 3_655 ?
Ni2 Te1 Ni1 133.18(3) . 1_565 ?
Ni1 Te1 Ni1 62.08(3) 3_655 1_565 ?
Ni2 Te1 Ni1 133.18(3) . 3 ?
Ni1 Te1 Ni1 93.64(6) 3_655 3 ?
Ni1 Te1 Ni1 62.08(3) 1_565 3 ?
Ni2 Te1 Ni1 133.18(3) . . ?
Ni1 Te1 Ni1 62.08(3) 3_655 . ?
Ni1 Te1 Ni1 93.64(6) 1_565 . ?
Ni1 Te1 Ni1 62.08(3) 3 . ?
Ni2 Te1 Ni2 85.78(16) . 25 ?
Ni1 Te1 Ni2 124.37(13) 3_655 25 ?
Ni1 Te1 Ni2 124.37(13) 1_565 25 ?
Ni1 Te1 Ni2 62.36(13) 3 25 ?
Ni1 Te1 Ni2 62.37(13) . 25 ?
Ni2 Te1 Ni2 85.78(16) . 25_665 ?
Ni1 Te1 Ni2 62.36(13) 3_655 25_665 ?
Ni1 Te1 Ni2 62.36(13) 1_565 25_665 ?
Ni1 Te1 Ni2 124.37(13) 3 25_665 ?
Ni1 Te1 Ni2 124.37(13) . 25_665 ?
Ni2 Te1 Ni2 171.6(3) 25 25_665 ?
Ni2 Te1 Ni2 85.78(16) . 25_655 ?
Ni1 Te1 Ni2 62.36(13) 3_655 25_655 ?
Ni1 Te1 Ni2 124.37(13) 1_565 25_655 ?
Ni1 Te1 Ni2 124.37(13) 3 25_655 ?
Ni1 Te1 Ni2 62.37(13) . 25_655 ?
Ni2 Te1 Ni2 89.69(2) 25 25_655 ?
Ni2 Te1 Ni2 89.69(2) 25_665 25_655 ?
Ni2 Te1 Ni2 85.78(16) . 25_565 ?
Ni1 Te1 Ni2 124.37(13) 3_655 25_565 ?
Ni1 Te1 Ni2 62.36(13) 1_565 25_565 ?
Ni1 Te1 Ni2 62.36(13) 3 25_565 ?
Ni1 Te1 Ni2 124.37(13) . 25_565 ?
Ni2 Te1 Ni2 89.69(2) 25 25_565 ?
Ni2 Te1 Ni2 89.69(2) 25_665 25_565 ?
Ni2 Te1 Ni2 171.6(3) 25_655 25_565 ?
Ni1 Ga1 Ni1 117.46(4) . 19_566 ?
Ni1 Ga1 Ni1 62.54(4) . 3_545 ?
Ni1 Ga1 Ni1 180.0 19_566 3_545 ?
Ni1 Ga1 Ni1 94.45(6) . 1_455 ?
Ni1 Ga1 Ni1 117.46(4) 19_566 1_455 ?
Ni1 Ga1 Ni1 62.54(4) 3_545 1_455 ?
Ni1 Ga1 Ni1 85.55(6) . 17_656 ?
Ni1 Ga1 Ni1 62.54(4) 19_566 17_656 ?
Ni1 Ga1 Ni1 117.46(4) 3_545 17_656 ?
Ni1 Ga1 Ni1 180.00(6) 1_455 17_656 ?
Ni1 Ga1 Ni1 117.46(4) . 19_556 ?
Ni1 Ga1 Ni1 94.45(6) 19_566 19_556 ?
Ni1 Ga1 Ni1 85.55(6) 3_545 19_556 ?
Ni1 Ga1 Ni1 117.46(4) 1_455 19_556 ?
Ni1 Ga1 Ni1 62.54(4) 17_656 19_556 ?
Ni1 Ga1 Ni1 180.0 . 17_556 ?
Ni1 Ga1 Ni1 62.54(4) 19_566 17_556 ?
Ni1 Ga1 Ni1 117.46(4) 3_545 17_556 ?
Ni1 Ga1 Ni1 85.55(6) 1_455 17_556 ?
Ni1 Ga1 Ni1 94.45(6) 17_656 17_556 ?
Ni1 Ga1 Ni1 62.54(4) 19_556 17_556 ?
Ni1 Ga1 Ni1 62.54(4) . 3 ?
Ni1 Ga1 Ni1 85.55(6) 19_566 3 ?
Ni1 Ga1 Ni1 94.45(6) 3_545 3 ?
Ni1 Ga1 Ni1 62.54(4) 1_455 3 ?
Ni1 Ga1 Ni1 117.46(4) 17_656 3 ?
Ni1 Ga1 Ni1 180.0 19_556 3 ?
Ni1 Ga1 Ni1 117.46(4) 17_556 3 ?
Ni1 Ga1 Ni3 121.269(18) . 1_445 ?
Ni1 Ga1 Ni3 121.268(18) 19_566 1_445 ?
Ni1 Ga1 Ni3 58.732(18) 3_545 1_445 ?
Ni1 Ga1 Ni3 58.732(18) 1_455 1_445 ?
Ni1 Ga1 Ni3 121.268(18) 17_656 1_445 ?
Ni1 Ga1 Ni3 58.732(18) 19_556 1_445 ?
Ni1 Ga1 Ni3 58.732(18) 17_556 1_445 ?
Ni1 Ga1 Ni3 121.268(18) 3 1_445 ?
Ni1 Ga1 Ni3 58.731(18) . . ?
Ni1 Ga1 Ni3 58.732(18) 19_566 . ?
Ni1 Ga1 Ni3 121.268(18) 3_545 . ?
Ni1 Ga1 Ni3 121.268(18) 1_455 . ?
Ni1 Ga1 Ni3 58.732(18) 17_656 . ?
Ni1 Ga1 Ni3 121.268(18) 19_556 . ?
Ni1 Ga1 Ni3 121.268(18) 17_556 . ?
Ni1 Ga1 Ni3 58.732(18) 3 . ?
Ni3 Ga1 Ni3 180.0 1_445 . ?
Ni1 Ga1 Ni3 121.269(18) . 1_455 ?
Ni1 Ga1 Ni3 58.732(18) 19_566 1_455 ?
Ni1 Ga1 Ni3 121.268(18) 3_545 1_455 ?
Ni1 Ga1 Ni3 58.732(18) 1_455 1_455 ?
Ni1 Ga1 Ni3 121.268(18) 17_656 1_455 ?
Ni1 Ga1 Ni3 121.268(18) 19_556 1_455 ?
Ni1 Ga1 Ni3 58.732(18) 17_556 1_455 ?
Ni1 Ga1 Ni3 58.732(18) 3 1_455 ?
Ni3 Ga1 Ni3 90.0 1_445 1_455 ?
Ni3 Ga1 Ni3 90.0 . 1_455 ?
Ni1 Ga1 Ni3 58.731(18) . 1_545 ?
Ni1 Ga1 Ni3 121.268(18) 19_566 1_545 ?
Ni1 Ga1 Ni3 58.732(18) 3_545 1_545 ?
Ni1 Ga1 Ni3 121.268(18) 1_455 1_545 ?
Ni1 Ga1 Ni3 58.732(18) 17_656 1_545 ?
Ni1 Ga1 Ni3 58.732(18) 19_556 1_545 ?
Ni1 Ga1 Ni3 121.268(18) 17_556 1_545 ?
Ni1 Ga1 Ni3 121.268(18) 3 1_545 ?
Ni3 Ga1 Ni3 90.0 1_445 1_545 ?
Ni3 Ga1 Ni3 90.0 . 1_545 ?
Ni3 Ga1 Ni3 180.0 1_455 1_545 ?
Ga1 Ni1 Ni3 62.54(4) 1_655 . ?
Ga1 Ni1 Ni3 62.54(4) 1_655 1_545 ?
Ni3 Ni1 Ni3 94.45(6) . 1_545 ?
Ga1 Ni1 Ga1 94.45(6) 1_655 . ?
Ni3 Ni1 Ga1 62.54(4) . . ?
Ni3 Ni1 Ga1 62.54(4) 1_545 . ?
Ga1 Ni1 Te1 117.692(14) 1_655 1_545 ?
Ni3 Ni1 Te1 179.59(6) . 1_545 ?
Ni3 Ni1 Te1 85.96(2) 1_545 1_545 ?
Ga1 Ni1 Te1 117.692(14) . 1_545 ?
Ga1 Ni1 Te1 117.692(14) 1_655 . ?
Ni3 Ni1 Te1 85.96(2) . . ?
Ni3 Ni1 Te1 179.59(6) 1_545 . ?
Ga1 Ni1 Te1 117.692(14) . . ?
Te1 Ni1 Te1 93.63(6) 1_545 . ?
Ga1 Ni1 Ni1 121.270(18) 1_655 3_545 ?
Ni3 Ni1 Ni1 121.270(18) . 3_545 ?
Ni3 Ni1 Ni1 58.732(18) 1_545 3_545 ?
Ga1 Ni1 Ni1 58.732(18) . 3_545 ?
Te1 Ni1 Ni1 58.961(17) 1_545 3_545 ?
Te1 Ni1 Ni1 121.037(17) . 3_545 ?
Ga1 Ni1 Ni1 58.732(18) 1_655 3_655 ?
Ni3 Ni1 Ni1 58.732(18) . 3_655 ?
Ni3 Ni1 Ni1 121.270(18) 1_545 3_655 ?
Ga1 Ni1 Ni1 121.270(18) . 3_655 ?
Te1 Ni1 Ni1 121.037(17) 1_545 3_655 ?
Te1 Ni1 Ni1 58.961(17) . 3_655 ?
Ni1 Ni1 Ni1 180.0 3_545 3_655 ?
Ga1 Ni1 Ni1 58.732(18) 1_655 3_645 ?
Ni3 Ni1 Ni1 121.270(18) . 3_645 ?
Ni3 Ni1 Ni1 58.732(18) 1_545 3_645 ?
Ga1 Ni1 Ni1 121.270(18) . 3_645 ?
Te1 Ni1 Ni1 58.961(17) 1_545 3_645 ?
Te1 Ni1 Ni1 121.037(17) . 3_645 ?
Ni1 Ni1 Ni1 90.0 3_545 3_645 ?
Ni1 Ni1 Ni1 90.0 3_655 3_645 ?
Ga1 Ni1 Ni1 121.270(18) 1_655 3 ?
Ni3 Ni1 Ni1 58.732(18) . 3 ?
Ni3 Ni1 Ni1 121.270(18) 1_545 3 ?
Ga1 Ni1 Ni1 58.732(18) . 3 ?
Te1 Ni1 Ni1 121.037(17) 1_545 3 ?
Te1 Ni1 Ni1 58.961(17) . 3 ?
Ni1 Ni1 Ni1 90.0 3_545 3 ?
Ni1 Ni1 Ni1 90.0 3_655 3 ?
Ni1 Ni1 Ni1 180.0 3_645 3 ?
Ga1 Ni1 Ni2 176.57(11) 1_655 25 ?
Ni3 Ni1 Ni2 119.35(6) . 25 ?
Ni3 Ni1 Ni2 119.35(6) 1_545 25 ?
Ga1 Ni1 Ni2 88.97(11) . 25 ?
Te1 Ni1 Ni2 60.40(6) 1_545 25 ?
Te1 Ni1 Ni2 60.40(6) . 25 ?
Ni1 Ni1 Ni2 60.70(6) 3_545 25 ?
Ni1 Ni1 Ni2 119.30(6) 3_655 25 ?
Ni1 Ni1 Ni2 119.30(6) 3_645 25 ?
Ni1 Ni1 Ni2 60.70(6) 3 25 ?
Ga1 Ni1 Ni2 88.97(11) 1_655 25_655 ?
Ni3 Ni1 Ni2 119.35(6) . 25_655 ?
Ni3 Ni1 Ni2 119.35(6) 1_545 25_655 ?
Ga1 Ni1 Ni2 176.57(11) . 25_655 ?
Te1 Ni1 Ni2 60.40(6) 1_545 25_655 ?
Te1 Ni1 Ni2 60.40(6) . 25_655 ?
Ni1 Ni1 Ni2 119.30(6) 3_545 25_655 ?
Ni1 Ni1 Ni2 60.70(6) 3_655 25_655 ?
Ni1 Ni1 Ni2 60.70(6) 3_645 25_655 ?
Ni1 Ni1 Ni2 119.30(6) 3 25_655 ?
Ni2 Ni1 Ni2 87.6(2) 25 25_655 ?
Te1 Ni2 Te1 94.22(16) . 25 ?
Te1 Ni2 Te1 94.22(16) . 25_665 ?
Te1 Ni2 Te1 171.6(3) 25 25_665 ?
Te1 Ni2 Te1 94.22(16) . 25_655 ?
Te1 Ni2 Te1 89.69(2) 25 25_655 ?
Te1 Ni2 Te1 89.69(2) 25_665 25_655 ?
Te1 Ni2 Te1 94.22(16) . 25_565 ?
Te1 Ni2 Te1 89.69(2) 25 25_565 ?
Te1 Ni2 Te1 89.69(2) 25_665 25_565 ?
Te1 Ni2 Te1 171.6(3) 25_655 25_565 ?
Te1 Ni2 Ni1 136.20(10) . 27 ?
Te1 Ni2 Ni1 57.23(8) 25 27 ?
Te1 Ni2 Ni1 115.8(2) 25_665 27 ?
Te1 Ni2 Ni1 57.23(8) 25_655 27 ?
Te1 Ni2 Ni1 115.8(2) 25_565 27 ?
Te1 Ni2 Ni1 136.20(10) . 25 ?
Te1 Ni2 Ni1 57.23(8) 25 25 ?
Te1 Ni2 Ni1 115.8(2) 25_665 25 ?
Te1 Ni2 Ni1 115.8(2) 25_655 25 ?
Te1 Ni2 Ni1 57.23(8) 25_565 25 ?
Ni1 Ni2 Ni1 58.60(12) 27 25 ?
Te1 Ni2 Ni1 136.20(10) . 27_565 ?
Te1 Ni2 Ni1 115.8(2) 25 27_565 ?
Te1 Ni2 Ni1 57.23(8) 25_665 27_565 ?
Te1 Ni2 Ni1 115.8(2) 25_655 27_565 ?
Te1 Ni2 Ni1 57.23(8) 25_565 27_565 ?
Ni1 Ni2 Ni1 87.6(2) 27 27_565 ?
Ni1 Ni2 Ni1 58.60(12) 25 27_565 ?
Te1 Ni2 Ni1 136.20(10) . 25_655 ?
Te1 Ni2 Ni1 115.8(2) 25 25_655 ?
Te1 Ni2 Ni1 57.23(8) 25_665 25_655 ?
Te1 Ni2 Ni1 57.23(8) 25_655 25_655 ?
Te1 Ni2 Ni1 115.8(2) 25_565 25_655 ?
Ni1 Ni2 Ni1 58.60(12) 27 25_655 ?
Ni1 Ni2 Ni1 87.6(2) 25 25_655 ?
Ni1 Ni2 Ni1 58.60(12) 27_565 25_655 ?
Ni1 Ni3 Ni1 117.46(4) . 19_666 ?
Ni1 Ni3 Ni1 62.54(4) . 3 ?
Ni1 Ni3 Ni1 180.0 19_666 3 ?
Ni1 Ni3 Ni1 180.0 . 17_666 ?
Ni1 Ni3 Ni1 62.54(4) 19_666 17_666 ?
Ni1 Ni3 Ni1 117.46(4) 3 17_666 ?
Ni1 Ni3 Ni1 117.46(4) . 19_566 ?
Ni1 Ni3 Ni1 94.45(6) 19_666 19_566 ?
Ni1 Ni3 Ni1 85.55(6) 3 19_566 ?
Ni1 Ni3 Ni1 62.54(4) 17_666 19_566 ?
Ni1 Ni3 Ni1 62.54(4) . 3_655 ?
Ni1 Ni3 Ni1 85.55(6) 19_666 3_655 ?
Ni1 Ni3 Ni1 94.45(6) 3 3_655 ?
Ni1 Ni3 Ni1 117.46(4) 17_666 3_655 ?
Ni1 Ni3 Ni1 180.0 19_566 3_655 ?
Ni1 Ni3 Ni1 94.45(6) . 1_565 ?
Ni1 Ni3 Ni1 117.46(4) 19_666 1_565 ?
Ni1 Ni3 Ni1 62.54(4) 3 1_565 ?
Ni1 Ni3 Ni1 85.55(6) 17_666 1_565 ?
Ni1 Ni3 Ni1 117.46(4) 19_566 1_565 ?
Ni1 Ni3 Ni1 62.54(4) 3_655 1_565 ?
Ni1 Ni3 Ni1 85.55(6) . 17_656 ?
Ni1 Ni3 Ni1 62.54(4) 19_666 17_656 ?
Ni1 Ni3 Ni1 117.46(4) 3 17_656 ?
Ni1 Ni3 Ni1 94.45(6) 17_666 17_656 ?
Ni1 Ni3 Ni1 62.54(4) 19_566 17_656 ?
Ni1 Ni3 Ni1 117.46(4) 3_655 17_656 ?
Ni1 Ni3 Ni1 180.0 1_565 17_656 ?
Ni1 Ni3 Ga1 58.731(18) . . ?
Ni1 Ni3 Ga1 121.268(18) 19_666 . ?
Ni1 Ni3 Ga1 58.732(18) 3 . ?
Ni1 Ni3 Ga1 121.268(18) 17_666 . ?
Ni1 Ni3 Ga1 58.732(18) 19_566 . ?
Ni1 Ni3 Ga1 121.268(18) 3_655 . ?
Ni1 Ni3 Ga1 121.268(18) 1_565 . ?
Ni1 Ni3 Ga1 58.732(18) 17_656 . ?
Ni1 Ni3 Ga1 121.269(18) . 1_665 ?
Ni1 Ni3 Ga1 58.732(18) 19_666 1_665 ?
Ni1 Ni3 Ga1 121.268(18) 3 1_665 ?
Ni1 Ni3 Ga1 58.732(18) 17_666 1_665 ?
Ni1 Ni3 Ga1 121.268(18) 19_566 1_665 ?
Ni1 Ni3 Ga1 58.732(18) 3_655 1_665 ?
Ni1 Ni3 Ga1 58.732(18) 1_565 1_665 ?
Ni1 Ni3 Ga1 121.268(18) 17_656 1_665 ?
Ga1 Ni3 Ga1 180.0 . 1_665 ?
Ni1 Ni3 Ga1 58.731(18) . 1_655 ?
Ni1 Ni3 Ga1 58.732(18) 19_666 1_655 ?
Ni1 Ni3 Ga1 121.268(18) 3 1_655 ?
Ni1 Ni3 Ga1 121.268(18) 17_666 1_655 ?
Ni1 Ni3 Ga1 121.268(18) 19_566 1_655 ?
Ni1 Ni3 Ga1 58.732(18) 3_655 1_655 ?
Ni1 Ni3 Ga1 121.268(18) 1_565 1_655 ?
Ni1 Ni3 Ga1 58.732(18) 17_656 1_655 ?
Ga1 Ni3 Ga1 90.0 . 1_655 ?
Ga1 Ni3 Ga1 90.0 1_665 1_655 ?
Ni1 Ni3 Ga1 121.269(18) . 1_565 ?
Ni1 Ni3 Ga1 121.268(18) 19_666 1_565 ?
Ni1 Ni3 Ga1 58.732(18) 3 1_565 ?
Ni1 Ni3 Ga1 58.732(18) 17_666 1_565 ?
Ni1 Ni3 Ga1 58.732(18) 19_566 1_565 ?
Ni1 Ni3 Ga1 121.268(18) 3_655 1_565 ?
Ni1 Ni3 Ga1 58.732(18) 1_565 1_565 ?
Ni1 Ni3 Ga1 121.268(18) 17_656 1_565 ?
Ga1 Ni3 Ga1 90.0 . 1_565 ?
Ga1 Ni3 Ga1 90.0 1_665 1_565 ?
Ga1 Ni3 Ga1 180.0 1_655 1_565 ?
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 Ni2 2.502(7) . ?
Te1 Ni1 2.5310(12) 3_655 ?
Te1 Ni1 2.5310(12) 1_565 ?
Te1 Ni1 2.5310(12) 3 ?
Te1 Ni1 2.5310(12) . ?
Te1 Ni2 2.6171(6) 25 ?
Te1 Ni2 2.6171(7) 25_665 ?
Te1 Ni2 2.6171(7) 25_655 ?
Te1 Ni2 2.6171(6) 25_565 ?
Ga1 Ni1 2.5142(13) . ?
Ga1 Ni1 2.5142(13) 19_566 ?
Ga1 Ni1 2.5142(13) 3_545 ?
Ga1 Ni1 2.5142(13) 1_455 ?
Ga1 Ni1 2.5142(13) 17_656 ?
Ga1 Ni1 2.5142(13) 19_556 ?
Ga1 Ni1 2.5142(13) 17_556 ?
Ga1 Ni1 2.5142(13) 3 ?
Ga1 Ni3 2.6100(4) 1_445 ?
Ga1 Ni3 2.6100(4) . ?
Ga1 Ni3 2.6100(4) 1_455 ?
Ga1 Ni3 2.6100(4) 1_545 ?
Ni1 Ni3 2.5142(13) . ?
Ni1 Ni3 2.5142(13) 1_545 ?
Ni1 Ni1 2.6100(4) 3_545 ?
Ni1 Ni1 2.6100(4) 3_655 ?
Ni1 Ni1 2.6100(4) 3_645 ?
Ni1 Ni1 2.6100(4) 3 ?
Ni1 Ni2 2.667(5) 25 ?
Ni1 Ni2 2.667(5) 25_655 ?
