#------------------------------------------------------------------------------
#$Date: 2024-04-25 04:59:45 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291350 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/24/2312475.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_2312475
loop_
_publ_author_name
'Pavlyuk, Nazar'
'Dmytriv, Grygoriy'
'Bondaruk, Alina'
'Ciesielski, Wojciech'
'Pavlyuk, Volodymyr'
_publ_section_title
;
Crystal, electronic structure and hydrogenation properties of the
Mg5.57Ni16Ge7.43 cluster phase with a
new type of polyhedron.
;
_journal_coeditor_code YP3234
_journal_issue 5
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_paper_doi 10.1107/S2053229624003140
_journal_volume 80
_journal_year 2024
_chemical_formula_iupac 'Mg5.57 Ni16 Ge7.43'
_chemical_formula_moiety 'Ge29.70 Ni64, 22.296(Mg)'
_chemical_formula_sum 'Ge29.7 Mg22.3 Ni64'
_chemical_formula_weight 6454.98
_chemical_name_systematic
;
Magnesium nickel germanide
;
_space_group_crystal_system cubic
_space_group_IT_number 225
_space_group_name_Hall '-F 4 2 3'
_space_group_name_H-M_alt 'F m -3 m'
_audit_creation_method SHELXL-2014/7
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_cell_length_a 11.5036(6)
_cell_length_b 11.5036(6)
_cell_length_c 11.5036(6)
_cell_measurement_reflns_used 131
_cell_measurement_temperature 293(2)
_cell_measurement_theta_max 28.331
_cell_measurement_theta_min 3.067
_cell_volume 1522.30(14)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2006)
;
_computing_publication_material
;
SHELX97 (Sheldrick, 1997)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature 293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type 'Oxford Diffraction Xcalibur3 CCD'
_diffrn_measurement_method '\w scans'
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0736
_diffrn_reflns_av_unetI/netI 0.0105
_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 15
_diffrn_reflns_limit_l_min -15
_diffrn_reflns_number 12619
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 28.331
_diffrn_reflns_theta_min 3.067
_diffrn_source 'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu 33.855
_exptl_absorpt_correction_T_max 0.683
_exptl_absorpt_correction_T_min 0.470
_exptl_absorpt_correction_type analytical
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2008)
;
_exptl_crystal_colour 'metallic light grey'
_exptl_crystal_density_diffrn 7.041
_exptl_crystal_description prism
_exptl_crystal_F_000 3010.1
_exptl_crystal_size_max 0.06
_exptl_crystal_size_mid 0.05
_exptl_crystal_size_min 0.03
_refine_diff_density_max 0.632
_refine_diff_density_min -0.628
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.247
_refine_ls_hydrogen_treatment undef
_refine_ls_matrix_type full
_refine_ls_number_parameters 14
_refine_ls_number_reflns 131
_refine_ls_number_restraints 0
_refine_ls_restrained_S_all 1.247
_refine_ls_R_factor_all 0.0151
_refine_ls_R_factor_gt 0.0125
_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/[\s^2^(Fo^2^)+35.3811P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0266
_refine_ls_wR_factor_ref 0.0282
_reflns_number_gt 120
_reflns_number_total 131
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file yp3234sup1.cif
_cod_data_source_block I
_cod_original_cell_volume 1522.3(2)
_cod_original_formula_sum 'Ge29.70 Mg22.30 Ni64'
_cod_database_code 2312475
_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_hkl_file
;
-1 -1 -1 287.07 16.70
-1 -1 -1 269.17 16.90
-1 -1 -1 325.87 16.10
-1 -1 -1 305.57 19.10
-1 -1 -1 310.37 15.90
-1 -1 -1 276.97 15.30
-1 -1 -1 350.96 16.90
-1 -1 1 308.07 14.20
-1 -1 1 278.57 14.30
-1 -1 1 317.07 15.20
-1 -1 1 281.87 19.70
-1 -1 1 299.17 20.00
-1 1 -1 333.17 15.60
-1 1 -1 279.67 17.00
-1 1 -1 337.97 15.60
-1 1 -1 322.27 18.00
-1 1 -1 340.17 18.50
-1 1 -1 327.37 16.90
-1 1 -1 309.67 14.90
-1 1 1 323.57 15.70
-1 1 1 293.47 14.10
-1 1 1 296.47 16.00
-1 1 1 313.07 17.50
-1 1 1 336.07 19.90
-1 1 1 305.97 15.90
1 -1 -1 350.76 18.50
1 -1 -1 323.27 16.80
1 -1 -1 335.97 16.30
1 -1 -1 314.47 17.80
1 -1 -1 300.37 17.10
1 -1 1 329.07 18.10
1 -1 1 311.57 14.80
1 -1 1 309.37 14.80
1 1 -1 338.07 18.00
1 1 -1 317.57 15.40
1 1 -1 283.47 16.50
1 1 -1 282.27 13.90
1 1 -1 298.17 17.40
1 1 1 287.27 15.00
1 1 1 297.87 18.90
1 1 1 292.47 15.70
1 1 1 271.87 15.20
1 1 1 335.37 16.70
-2 0 0 610.04 27.00
-2 0 0 578.04 26.50
-2 0 0 577.64 26.60
-2 0 0 576.44 31.70
-2 0 0 539.55 27.50
0 -2 0 563.34 27.60
0 -2 0 583.74 29.70
0 -2 0 547.15 26.00
0 0 -2 545.05 32.10
0 0 -2 577.64 27.90
0 0 -2 587.64 29.80
0 0 -2 531.75 32.60
0 0 -2 579.74 28.90
0 0 2 572.34 28.90
0 2 0 561.34 26.80
0 2 0 558.04 26.60
0 2 0 547.65 27.60
0 2 0 609.74 29.80
0 2 0 492.25 26.10
2 0 0 565.14 29.20
2 0 0 558.04 31.20
2 0 0 623.94 26.80
-2 -2 0 22.20 5.60
-2 -2 0 16.30 6.90
-2 -2 0 16.70 5.30
-2 -2 0 16.10 5.80
-2 -2 0 13.30 5.20
-2 -2 0 18.20 5.00
-2 0 -2 18.50 8.50
-2 0 -2 24.40 6.50
-2 0 -2 30.70 8.50
-2 0 -2 9.00 5.90
-2 0 -2 25.00 6.30
-2 0 -2 19.20 6.20
-2 0 2 19.20 4.70
-2 0 2 15.00 3.30
-2 0 2 17.30 5.50
-2 0 2 25.80 7.90
-2 2 0 18.50 5.20
-2 2 0 20.50 5.30
-2 2 0 6.00 5.40
-2 2 0 17.50 3.70
-2 2 0 14.90 7.10
-2 2 0 14.40 7.70
0 -2 -2 26.10 9.30
0 -2 -2 28.20 6.50
0 -2 -2 23.80 4.00
0 -2 -2 11.10 6.40
0 -2 -2 24.60 7.10
0 -2 -2 23.20 8.60
0 -2 2 14.20 4.50
0 -2 2 16.50 9.20
0 -2 2 16.40 4.10
0 2 -2 20.70 8.00
0 2 -2 20.50 3.70
0 2 -2 28.50 5.80
0 2 -2 24.30 9.50
0 2 -2 15.90 9.30
0 2 -2 18.90 7.50
0 2 -2 23.00 3.60
0 2 2 28.60 5.30
0 2 2 19.90 7.20
0 2 2 16.20 8.30
0 2 2 12.90 7.60
2 -2 0 24.00 7.30
2 -2 0 17.60 6.50
2 -2 0 18.10 7.90
2 -2 0 14.40 8.90
2 0 -2 18.20 9.00
2 0 -2 10.20 7.50
2 0 -2 18.90 1.90
2 0 -2 13.50 3.20
2 0 -2 10.10 7.90
2 0 -2 24.50 9.70
2 0 2 8.00 7.20
2 0 2 13.80 5.70
2 0 2 20.50 5.70
2 2 0 14.40 6.50
2 2 0 18.20 5.30
2 2 0 22.40 6.90
2 2 0 12.70 8.70
2 2 0 17.20 6.00
-2 -2 -2 776.82 39.50
-2 -2 -2 750.42 39.60
-2 -2 -2 742.03 37.50
-2 -2 -2 714.43 36.50
-2 -2 -2 828.12 38.90
-2 -2 2 727.63 34.20
-2 -2 2 743.33 34.70
-2 -2 2 770.02 36.30
-2 -2 2 806.32 45.40
-2 2 -2 775.72 35.60
-2 2 -2 780.02 36.70
-2 2 -2 770.92 41.10
-2 2 -2 769.02 41.10
-2 2 -2 810.12 39.30
-2 2 2 757.92 36.80
-2 2 2 722.83 34.20
-2 2 2 754.22 37.70
-2 2 2 754.82 40.80
-2 2 2 795.42 43.20
2 -2 -2 806.72 41.80
2 -2 -2 812.32 39.20
2 -2 -2 778.72 37.90
2 -2 -2 815.92 42.00
2 -2 -2 814.02 40.40
2 -2 2 776.72 41.00
2 -2 2 771.32 35.40
2 2 -2 775.52 40.90
2 2 -2 743.93 35.40
2 2 -2 735.13 38.80
2 2 -2 709.33 33.70
2 2 -2 769.52 40.20
2 2 2 721.83 36.20
2 2 2 686.03 42.50
2 2 2 733.43 37.90
2 2 2 647.94 36.10
-3 -1 -1 18.60 6.40
-3 -1 -1 8.10 5.60
-3 -1 -1 11.90 6.70
-3 -1 -1 14.10 6.60
-3 -1 1 24.30 5.20
-3 -1 1 15.70 4.00
-3 -1 1 13.80 5.60
-3 1 -1 17.30 6.00
-3 1 -1 20.60 6.10
-3 1 -1 12.90 7.50
-3 1 -1 16.50 4.30
-3 1 -1 10.20 6.00
-3 1 1 19.80 5.80
-3 1 1 14.30 5.20
-3 1 1 19.60 9.20
-1 -3 -1 18.60 5.90
-1 -3 -1 2.30 6.50
-1 -3 -1 10.40 3.70
-1 -3 -1 11.90 7.30
-1 -3 -1 12.40 6.90
-1 -3 1 6.10 4.50
-1 -3 1 13.70 4.20
-1 -3 1 14.10 8.80
-1 -3 1 16.20 3.10
-1 -1 -3 0.80 9.60
-1 -1 -3 28.40 9.40
-1 -1 -3 14.50 8.50
-1 -1 -3 11.20 10.00
-1 -1 -3 13.70 9.90
-1 -1 3 7.60 4.50
-1 1 -3 13.00 9.20
-1 1 -3 4.80 6.00
-1 1 -3 9.90 11.40
-1 1 -3 10.40 8.60
-1 1 -3 15.90 7.90
-1 1 3 10.00 5.30
-1 1 3 21.20 7.10
-1 3 -1 15.20 3.70
-1 3 -1 19.10 5.90
-1 3 -1 3.10 8.20
-1 3 -1 10.50 6.20
-1 3 -1 12.10 8.80
-1 3 1 13.00 5.60
-1 3 1 19.30 5.00
-1 3 1 10.80 2.40
-1 3 1 16.70 6.60
-1 3 1 21.40 9.50
-1 3 1 9.40 5.20
1 -3 -1 5.70 7.00
1 -3 -1 14.50 5.10
1 -3 -1 10.40 6.40
1 -3 -1 13.70 5.50
1 -3 -1 9.40 9.80
1 -3 -1 21.40 5.30
1 -3 1 7.90 5.70
1 -3 1 14.00 9.10
1 -1 -3 -0.20 11.00
1 -1 -3 21.40 6.40
1 -1 -3 10.70 6.00
1 -1 -3 22.60 6.20
1 -1 -3 20.30 9.90
1 -1 -3 16.70 7.30
1 -1 3 16.00 9.40
1 -1 3 2.70 5.60
1 1 -3 20.70 10.60
1 1 -3 12.50 4.70
1 1 -3 8.80 7.30
1 1 -3 10.70 12.30
1 1 -3 9.70 5.70
1 1 3 21.50 10.40
1 3 -1 13.20 5.60
1 3 -1 16.60 6.70
1 3 -1 17.00 5.30
1 3 -1 22.60 9.20
1 3 1 14.90 5.50
1 3 1 14.80 6.70
1 3 1 8.30 6.40
1 3 1 8.60 5.50
3 -1 -1 16.30 8.00
3 -1 -1 10.70 8.10
3 -1 -1 5.30 5.40
3 -1 -1 11.50 8.30
3 -1 -1 7.20 6.80
3 -1 1 15.20 8.20
3 -1 1 12.20 8.50
3 -1 1 9.60 5.80
3 -1 1 6.60 5.20
3 1 -1 11.40 8.00
3 1 -1 13.90 4.70
3 1 -1 6.50 8.60
3 1 -1 13.00 8.10
3 1 -1 13.40 4.60
3 1 1 19.00 7.10
3 1 1 23.40 8.20
-3 -3 -1 1.50 7.20
-3 -3 -1 7.20 9.10
-3 -3 -1 11.30 6.10
-3 -3 -1 5.40 5.40
-3 -3 -1 9.90 4.60
-3 -3 -1 3.30 6.00
-3 -3 1 10.90 4.50
-3 -3 1 9.90 7.10
-3 -3 1 10.40 5.60
-3 -3 1 12.80 7.60
-3 -1 -3 14.80 8.60
-3 -1 -3 6.30 8.60
-3 -1 -3 21.00 8.50
-3 -1 -3 21.20 7.40
-3 -1 -3 10.40 7.60
-3 -1 3 17.30 5.00
-3 -1 3 14.30 6.00
-3 1 -3 2.60 6.90
-3 1 -3 14.90 7.20
-3 1 -3 12.20 9.50
-3 1 -3 4.50 7.10
-3 1 -3 3.20 6.70
-3 1 -3 1.60 5.90
-3 1 3 7.10 5.60
-3 1 3 13.30 4.90
-3 1 3 14.30 6.60
-3 3 -1 7.10 5.20
-3 3 -1 11.70 7.00
-3 3 -1 14.30 3.20
-3 3 -1 8.30 8.50
-3 3 1 14.40 6.00
-3 3 1 15.50 7.10
-3 3 1 7.50 11.00
-1 -3 -3 19.40 9.50
-1 -3 -3 7.40 7.90
-1 -3 -3 10.00 5.30
-1 -3 -3 4.30 7.80
-1 -3 -3 19.40 6.80
-1 -3 -3 1.50 9.50
-1 -3 3 11.50 4.00
-1 -3 3 19.30 4.40
-1 -3 3 17.90 11.00
-1 -3 3 10.10 3.70
-1 3 -3 10.80 8.50
-1 3 -3 8.50 4.80
-1 3 -3 32.70 13.60
-1 3 -3 7.60 9.40
-1 3 -3 12.40 8.40
-1 3 -3 7.50 5.00
-1 3 3 17.20 4.70
-1 3 3 9.50 6.60
-1 3 3 17.30 10.60
1 -3 -3 12.50 9.60
1 -3 -3 15.80 4.80
1 -3 -3 16.00 6.80
1 -3 -3 13.10 5.70
1 -3 -3 7.90 6.70
1 -3 -3 9.30 5.10
1 -3 -3 22.40 8.50
1 -3 -3 13.00 7.90
1 -3 3 8.30 5.90
1 -3 3 9.80 2.20
1 -3 3 8.90 10.50
1 -3 3 11.10 3.90
1 -3 3 9.90 3.10
1 3 -3 23.80 9.80
1 3 -3 12.40 3.80
1 3 -3 11.00 5.40
1 3 -3 15.00 8.90
1 3 -3 11.00 11.10
1 3 -3 24.00 9.50
1 3 3 9.80 6.50
1 3 3 13.50 9.50
1 3 3 13.70 2.70
1 3 3 -0.80 7.60
3 -3 -1 31.10 7.70
3 -3 -1 9.20 7.50
3 -3 -1 17.10 6.90
3 -3 -1 17.40 8.60
3 -3 -1 19.60 10.70
3 -3 1 16.50 7.50
3 -3 1 3.40 8.00
3 -3 1 10.10 8.50
3 -1 -3 1.80 9.90
3 -1 -3 6.30 7.70
3 -1 -3 12.80 4.90
3 -1 -3 11.90 8.90
3 -1 -3 1.90 8.90
3 -1 3 16.40 7.90
3 1 -3 15.10 9.50
3 1 -3 21.20 9.20
3 1 -3 15.50 3.30
3 1 -3 18.90 8.40
3 1 -3 9.30 2.10
3 1 -3 17.30 10.80
3 1 -3 1.90 11.80
3 1 3 10.30 6.60
3 1 3 9.60 6.80
3 1 3 7.60 5.70
3 3 -1 11.00 8.10
3 3 -1 12.70 5.60
3 3 -1 9.00 5.40
3 3 -1 -0.80 9.10
3 3 -1 15.10 5.20
3 3 -1 12.00 4.00
3 3 1 25.60 6.80
3 3 1 19.30 6.70
3 3 1 17.40 10.10
3 3 1 10.80 6.70
3 3 1 9.90 5.20
-3 -3 -3 2433.36 112.19
-3 -3 -3 2348.97 111.99
-3 -3 -3 2255.67 108.09
-3 -3 -3 2394.46 110.99
-3 -3 3 2320.87 104.79
-3 -3 3 2352.86 107.59
-3 -3 3 2460.05 119.79
-3 3 -3 2440.46 106.79
-3 3 -3 2418.66 108.29
-3 3 -3 2416.66 115.49
-3 3 -3 2472.95 114.49
-3 3 -3 2400.26 106.59
-3 3 3 2430.36 108.89
-3 3 3 2380.56 104.99
-3 3 3 2431.66 110.09
-3 3 3 2533.05 117.79
3 -3 -3 2527.15 115.79
3 -3 -3 2511.35 112.09
3 -3 -3 2359.16 109.49
3 -3 -3 2521.55 116.09
3 -3 -3 2619.74 117.79
3 -3 3 2498.35 115.19
3 -3 3 2372.66 106.39
3 3 -3 2352.16 106.49
3 3 -3 2287.07 114.89
3 3 -3 2313.07 103.79
3 3 -3 2415.66 112.59
3 3 3 2343.47 107.79
3 3 3 2321.17 117.09
3 3 3 2328.87 110.19
3 3 3 2073.39 106.89
-4 0 0 92.19 9.60
-4 0 0 74.29 8.50
-4 0 0 92.19 9.40
-4 0 0 83.89 11.10
0 -4 0 79.59 10.60
0 -4 0 71.19 12.70
0 -4 0 71.09 7.20
0 0 -4 93.59 18.00
0 0 -4 77.89 11.30
0 0 -4 92.49 15.00
0 0 -4 91.09 17.60
0 0 -4 91.49 13.20
0 0 4 68.89 10.70
0 4 0 75.79 9.40
0 4 0 68.99 9.50
0 4 0 73.79 10.10
0 4 0 84.69 13.60
0 4 0 68.19 7.70
4 0 0 70.09 12.80
4 0 0 70.39 14.10
4 0 0 70.89 8.20
4 0 0 87.29 9.60
-4 0 -2 11.10 5.60
-4 0 -2 9.80 7.00
-4 0 -2 13.40 9.40
-4 0 -2 26.40 6.20
-4 0 -2 12.10 5.10
-4 0 -2 9.20 6.40
-4 0 2 18.90 6.30
-4 0 2 12.60 6.00
-2 -4 0 15.30 4.70
-2 -4 0 22.40 7.70
-2 -4 0 18.70 6.00
-2 -4 0 10.70 5.70
-2 -4 0 9.70 7.40
-2 -4 0 19.00 5.40
-2 4 0 24.40 5.70
-2 4 0 11.10 5.60
-2 4 0 16.40 5.40
-2 4 0 16.50 7.20
-2 4 0 20.10 9.80
0 -2 -4 17.80 11.20
0 -2 -4 20.20 8.80
0 -2 -4 10.70 7.90
0 -2 -4 5.80 7.50
0 -2 -4 8.90 9.30
0 -2 -4 20.90 10.40
0 -2 4 -2.70 11.10
0 -2 4 3.50 5.10
0 2 -4 16.40 10.60
0 2 -4 22.70 6.70
0 2 -4 13.10 10.40
0 2 -4 26.20 11.80
0 2 -4 7.10 6.00
0 2 4 10.20 8.10
0 2 4 23.20 7.00
2 -4 0 8.90 6.60
2 -4 0 15.70 8.30
2 -4 0 12.70 9.70
2 4 0 13.70 6.00
2 4 0 15.90 6.90
2 4 0 18.10 8.00
2 4 0 10.50 4.20
4 0 -2 23.00 7.40
4 0 -2 17.90 9.10
4 0 -2 14.20 4.80
4 0 -2 17.40 10.40
4 0 -2 20.50 8.80
4 0 2 14.50 8.90
4 0 2 13.60 8.50
4 0 2 9.70 4.70
4 0 2 11.40 6.20
-4 -2 0 11.80 5.60
-4 -2 0 13.40 6.30
-4 -2 0 19.40 6.90
-4 -2 0 20.80 6.60
-4 2 0 20.60 6.80
-4 2 0 19.20 5.20
-4 2 0 12.90 9.30
-2 0 -4 7.70 11.70
-2 0 -4 11.30 8.20
-2 0 -4 17.40 10.70
-2 0 -4 37.90 12.20
-2 0 -4 14.30 8.90
-2 0 4 15.40 5.80
-2 0 4 17.80 4.50
0 -4 -2 6.30 8.10
0 -4 -2 13.40 3.20
0 -4 -2 19.90 6.60
0 -4 -2 17.60 7.60
0 -4 -2 11.10 3.30
0 -4 -2 19.10 11.20
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-2 14 2 245.88 27.70
-2 14 2 191.88 31.60
2 -14 -2 221.18 39.90
2 -14 -2 308.67 29.50
2 -14 -2 347.07 41.00
2 -14 2 175.68 43.60
2 -14 2 207.58 46.90
2 -2 -14 309.87 49.00
2 -2 -14 272.87 31.30
2 -2 -14 217.38 30.30
2 -2 -14 228.88 43.80
2 -2 14 203.88 27.70
2 -2 14 141.69 54.89
2 2 -14 201.18 47.90
14 2 -2 247.48 26.80
14 2 -2 194.48 46.90
-14 2 2 241.28 27.10
-14 2 -2 262.77 31.70
-14 2 2 277.37 30.40
14 -4 0 263.47 30.60
14 4 0 244.38 52.29
4 14 0 335.57 55.89
14 0 -4 231.78 48.70
14 0 -4 248.78 19.40
14 0 -4 186.78 37.30
14 0 -4 188.78 46.40
14 0 -4 329.97 35.90
14 0 4 258.67 48.90
14 0 4 220.08 51.49
14 4 0 265.67 43.90
14 4 0 301.47 28.70
14 4 0 266.07 36.70
-4 0 14 230.18 21.60
-4 0 14 256.57 37.80
0 -14 -4 203.08 40.40
0 -14 -4 302.07 56.49
0 -14 4 274.17 44.30
0 14 -4 253.17 20.40
0 14 -4 217.28 30.50
0 14 -4 211.78 35.30
0 14 -4 312.67 31.80
0 14 4 281.37 29.10
0 14 4 284.07 30.70
0 14 4 288.97 37.00
4 0 -14 320.47 55.69
4 0 -14 308.47 39.80
4 0 -14 247.68 47.70
4 0 14 232.68 33.30
4 0 14 229.28 43.20
14 -4 0 245.48 46.90
14 -4 0 393.46 69.19
-14 0 4 273.87 27.20
-14 0 4 264.67 30.00
-14 0 4 325.37 55.19
-4 -14 0 390.86 59.09
-4 -14 0 233.48 18.00
-4 14 0 265.47 23.80
-4 14 0 291.17 34.60
-4 14 0 220.88 16.50
0 -4 -14 181.58 41.60
0 -4 -14 238.88 35.20
0 -4 -14 331.47 33.90
0 -4 -14 302.07 44.40
0 -4 -14 351.76 41.90
0 -4 14 205.88 21.60
0 -4 14 291.37 25.50
0 -4 14 164.88 24.20
0 -4 14 317.87 28.90
0 -4 14 289.87 48.30
0 4 -14 309.47 58.89
0 4 -14 207.18 32.30
0 4 -14 190.58 38.10
0 4 -14 199.88 43.80
0 4 14 287.87 23.80
0 4 14 269.97 35.30
4 -14 0 283.77 40.70
4 -14 0 241.68 36.70
4 -14 0 287.17 47.80
4 14 0 221.48 20.60
4 14 0 216.28 31.20
4 14 0 244.48 30.80
-4 0 -14 291.17 47.00
-14 -4 0 228.68 27.40
-14 -4 0 266.37 31.70
-14 -4 0 232.08 31.90
-4 0 -14 235.48 34.50
-4 0 -14 334.57 40.40
-14 4 0 250.97 34.10
-4 0 -14 233.78 34.80
14 0 4 270.17 30.80
-14 0 -4 238.48 34.50
-14 0 -4 269.17 28.50
-14 0 -4 270.37 32.50
-14 0 4 250.67 29.90
-14 -4 0 261.27 33.40
-14 4 0 255.77 34.00
-14 4 0 251.77 30.00
-14 4 0 262.17 26.40
-14 4 0 220.88 33.30
-4 0 14 244.48 29.30
-4 0 -14 290.77 49.40
-14 -4 2 33.80 17.30
-14 -4 2 25.70 10.00
14 -2 4 42.10 30.30
-14 4 -2 6.80 15.20
-14 -4 2 17.10 16.30
-4 -14 -2 27.00 11.90
-14 4 -2 -3.30 14.30
-14 4 -2 20.40 11.20
14 -2 4 61.69 37.40
14 -2 4 51.49 10.50
-14 -4 2 44.50 14.50
-4 14 2 10.60 14.60
-2 -4 -14 18.70 22.80
-2 -4 -14 1.80 15.00
-2 -4 -14 8.10 14.80
-2 -4 -14 41.30 23.40
-2 -4 -14 13.50 19.90
2 14 4 24.90 19.40
14 4 2 18.40 14.70
14 4 2 26.20 23.00
-14 2 4 11.30 15.90
-14 2 4 27.20 13.40
-4 -2 14 14.70 10.50
-4 -2 14 -1.50 15.30
-4 -2 14 20.00 25.10
-4 2 -14 12.90 24.60
-4 2 -14 20.20 15.40
-2 4 14 43.80 19.70
-2 4 14 23.40 8.40
-2 4 14 22.70 15.80
-4 2 -14 32.60 24.70
4 2 14 5.40 14.90
2 -4 14 15.30 12.20
2 -4 14 -5.50 10.30
2 -4 14 -7.90 17.20
2 4 -14 1.30 25.20
2 4 -14 44.60 13.60
2 4 -14 1.70 18.00
2 4 -14 5.40 24.80
-14 4 -2 19.20 16.30
4 -2 -14 42.50 20.40
4 -2 -14 20.70 23.80
14 2 -4 46.70 11.00
4 -14 2 -3.80 20.70
4 -14 2 -38.60 20.60
4 -14 2 -2.20 30.90
4 14 -2 12.10 6.20
4 14 -2 30.10 16.00
4 14 -2 24.80 13.70
2 14 4 21.40 13.60
2 14 4 27.10 17.70
14 -4 -2 26.70 17.30
-4 2 -14 5.20 15.70
-4 14 2 5.00 11.00
14 4 2 28.20 20.50
-14 -2 -4 23.20 17.20
-4 2 -14 16.20 20.20
-14 4 -2 15.00 22.90
14 2 -4 23.20 26.80
14 2 -4 18.90 8.70
14 2 -4 25.70 12.90
14 2 -4 14.00 10.00
14 2 -4 -15.10 26.20
-4 14 2 21.40 14.30
-14 -2 -4 22.60 19.20
-14 2 4 34.60 15.30
4 -2 -14 37.50 27.80
14 4 2 57.19 17.00
14 -4 -2 -19.00 25.50
14 -4 -2 -31.70 24.10
14 4 2 39.00 27.90
-2 -14 4 12.10 18.20
2 -14 -4 17.10 21.30
4 2 14 79.39 24.70
2 14 -4 -11.10 17.70
14 2 4 36.10 27.30
-4 -14 2 32.70 33.60
-4 14 -2 26.30 9.10
2 -4 -14 17.20 24.20
14 -2 -4 -36.00 18.10
4 -14 -2 79.69 35.40
2 14 -4 21.70 14.80
-4 14 -2 24.70 11.60
-2 -4 14 8.00 7.40
14 -2 -4 23.30 7.00
-2 -4 14 12.80 23.70
14 2 4 18.30 27.10
14 2 4 16.80 17.60
2 4 14 40.60 17.90
4 -14 -2 7.90 20.30
4 -2 14 46.30 19.00
4 -2 14 44.50 26.30
4 2 -14 61.29 33.40
4 2 -14 18.40 21.90
4 2 -14 32.10 26.70
2 -4 -14 32.90 25.30
-2 -4 14 31.60 16.10
2 -14 4 -12.80 22.30
4 14 2 1.00 14.20
14 -4 2 124.79 37.60
14 -4 2 113.89 42.90
14 -4 2 13.90 13.90
14 4 -2 12.00 24.40
14 4 -2 16.50 10.50
14 4 -2 1.80 13.70
14 4 -2 0.70 25.20
-14 2 -4 41.00 14.50
-14 2 -4 -6.20 9.20
-14 2 -4 24.40 17.50
14 -2 -4 -17.10 24.50
14 -2 -4 34.50 19.30
-2 14 4 38.10 16.00
-2 14 4 12.80 13.70
-2 -14 -4 -5.30 23.00
-2 -14 -4 1.40 32.70
-2 -14 -4 85.99 25.60
-2 -14 -4 18.80 12.50
-14 2 -4 49.30 18.30
-2 -4 14 11.30 6.60
-14 -4 -2 1.20 15.80
-14 -4 -2 12.50 14.70
-14 -4 -2 31.40 17.80
2 4 14 27.50 13.00
-14 4 2 10.20 14.60
-14 4 2 49.90 16.60
-14 4 2 10.90 12.30
-4 -2 -14 14.50 21.30
-4 -2 -14 22.20 17.20
-4 -2 -14 1.80 19.00
-4 -2 -14 30.50 21.80
-4 -2 -14 39.60 19.90
-2 4 -14 13.90 24.60
-2 4 -14 26.40 14.60
-2 4 -14 7.40 18.60
-2 4 -14 59.79 29.30
-2 4 -14 34.30 16.60
-14 -2 4 34.40 16.70
-14 -2 4 7.00 11.60
-14 -2 4 18.10 14.90
-4 2 14 19.60 15.90
-4 2 14 37.70 13.70
-4 2 14 15.30 18.70
4 14 2 11.70 15.20
4 14 2 15.00 12.00
-2 -4 14 -1.60 7.20
2 14 -4 18.40 12.70
-2 14 4 19.10 13.90
-14 4 -4 110.59 19.00
-14 4 -4 150.88 29.00
-14 -4 -4 101.59 26.30
-14 -4 4 126.99 19.90
14 4 4 140.39 35.50
14 4 4 111.59 23.80
-4 4 -14 84.39 32.40
-4 4 -14 174.88 26.70
-4 4 14 140.09 28.60
-4 4 14 98.69 22.40
-14 -4 4 121.49 24.50
-14 -4 4 125.69 26.20
-14 -4 4 103.79 24.50
-14 -4 4 26.30 28.80
14 4 -4 138.79 39.00
14 4 -4 99.39 16.00
14 4 -4 141.29 18.10
14 4 -4 113.49 16.30
14 4 -4 88.49 39.10
14 4 4 160.58 36.10
14 4 4 144.89 28.40
14 4 4 83.29 27.90
4 4 14 102.49 21.80
4 4 14 125.09 27.80
4 4 14 103.89 25.90
4 14 -4 117.19 23.10
4 14 -4 202.38 39.40
4 14 -4 115.19 19.80
4 14 4 147.29 28.60
4 14 4 177.38 32.40
14 -4 -4 109.59 35.90
14 -4 -4 145.19 31.70
14 -4 4 94.09 35.90
4 -4 14 112.99 33.90
4 4 -14 91.49 37.00
4 4 -14 138.49 37.20
4 4 -14 77.59 33.90
4 -14 -4 99.49 30.30
4 -14 4 103.69 39.60
4 -14 4 119.99 37.30
4 -4 -14 100.19 37.00
4 -4 -14 164.28 27.60
4 -4 -14 108.49 36.10
4 -4 14 126.89 26.20
-4 14 4 144.19 27.10
-14 4 -4 100.99 24.00
-14 4 -4 151.18 26.00
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-14 4 4 127.59 23.30
-14 4 4 112.19 20.90
-4 -14 -4 112.29 34.80
-4 -14 -4 68.09 24.20
-4 -14 -4 120.09 22.20
-4 -14 4 103.69 30.70
-4 -4 -14 116.99 35.60
-4 -4 -14 105.69 25.70
-4 -4 -14 137.29 31.00
-4 -4 -14 135.19 33.20
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-4 -4 14 106.49 24.50
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-4 4 -14 135.89 41.50
-4 4 -14 133.99 24.80
-4 4 -14 119.49 31.20
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-4 14 4 121.59 21.30
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-4 14 -4 160.28 21.20
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14 0 -6 46.40 30.60
14 0 -6 52.39 13.40
14 0 -6 74.19 36.70
14 0 -6 70.69 26.90
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0 -6 -14 84.29 26.30
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0 -6 14 62.59 15.30
0 -6 14 96.09 35.10
0 -6 14 75.79 12.30
0 6 -14 76.29 15.20
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0 6 -14 41.60 29.00
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-14 0 -6 66.29 22.60
-14 0 6 68.19 20.20
-14 0 6 85.69 17.60
-14 0 6 97.29 21.30
-6 14 0 70.69 15.60
0 -6 -14 45.10 20.60
0 -6 -14 62.99 17.90
14 -6 0 62.29 21.80
14 6 0 82.29 31.80
14 6 0 73.89 19.70
14 6 0 88.49 23.70
14 6 0 98.09 36.00
14 6 0 83.99 18.70
-14 6 0 84.19 21.00
-14 6 0 57.49 14.70
-14 6 0 74.19 19.40
-6 0 -14 72.69 22.60
-6 0 -14 67.59 29.50
-6 0 -14 102.69 28.80
-6 0 -14 101.69 24.70
-6 0 14 71.79 18.50
-6 0 14 91.99 27.90
0 -14 -6 30.00 20.70
0 -14 6 115.29 34.80
0 14 -6 39.70 23.20
0 14 6 39.50 19.30
0 14 6 99.29 22.40
0 14 6 86.49 24.70
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6 0 -14 63.69 30.10
6 0 14 107.19 26.80
6 0 14 96.49 30.40
6 0 14 83.99 25.40
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14 -6 0 147.49 61.99
14 6 2 672.33 77.79
6 2 14 675.83 61.29
6 -14 2 582.14 73.19
14 -6 -2 487.65 88.69
14 2 -6 597.24 80.79
14 -2 -6 561.34 76.09
6 -2 14 648.94 72.79
14 2 6 642.64 77.59
14 -6 2 662.13 86.79
14 6 -2 747.33 85.99
-15 -1 -1 38.20 16.70
-15 -1 -1 16.40 14.30
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-1 -15 1 63.39 33.10
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-1 -1 -15 54.59 20.20
-1 -1 -15 43.70 20.00
-1 -1 -15 26.70 25.40
-1 -1 -15 14.30 18.90
-1 -1 15 46.90 15.40
-1 -1 15 13.10 11.10
-1 -1 15 71.89 30.00
-1 1 -15 66.79 31.60
-1 1 -15 8.80 13.90
-1 1 -15 84.49 26.40
-1 1 -15 41.90 26.20
-1 1 -15 38.10 20.00
-1 1 15 45.20 17.30
-1 1 15 26.10 14.10
-1 1 15 34.70 23.40
-1 15 -1 43.60 10.30
-1 15 -1 45.00 18.30
-1 15 -1 17.60 10.70
-1 15 -1 20.40 14.80
-1 15 1 21.60 9.60
-1 15 1 34.30 17.80
-1 15 1 30.10 15.40
1 -15 -1 41.60 25.70
1 -15 -1 55.79 13.30
1 -15 -1 53.19 14.00
1 -15 -1 166.38 43.10
1 -15 1 7.60 19.10
1 -15 1 47.40 33.90
1 -1 -15 23.00 27.50
1 -1 -15 21.90 15.40
1 -1 -15 47.00 21.00
1 -1 -15 36.40 25.30
1 -1 15 40.30 15.10
1 -1 15 45.40 25.20
1 1 -15 40.20 32.10
1 1 -15 31.50 16.60
1 1 -15 40.70 22.40
1 1 -15 32.00 23.70
1 1 15 27.20 15.60
1 1 15 50.09 26.00
1 15 -1 43.90 9.40
1 15 -1 36.40 17.50
1 15 -1 20.20 13.10
1 15 -1 59.29 18.10
1 15 1 30.50 16.40
1 15 1 41.60 19.40
15 -1 -1 37.40 27.10
15 -1 1 30.80 27.30
15 -1 1 16.60 35.90
15 1 -1 67.49 30.30
15 1 -1 42.30 13.80
15 1 -1 8.40 27.10
15 1 1 67.79 32.90
15 1 1 13.60 14.20
15 1 1 32.30 28.80
-15 -1 -3 25.30 18.80
-15 -1 -3 81.89 19.20
-15 -1 -3 55.09 20.80
-1 15 -3 45.80 18.90
15 3 1 61.19 30.30
15 3 1 57.09 17.60
15 3 1 32.00 20.00
15 3 1 48.90 32.70
1 -15 -3 132.39 45.70
-1 15 -3 72.99 14.60
-15 1 3 39.60 14.50
-15 1 3 38.60 16.80
-3 -1 15 80.79 32.90
1 15 3 64.49 21.10
1 15 3 74.09 21.90
-3 15 1 66.19 19.30
-3 15 1 52.79 18.70
-1 -3 -15 23.00 17.40
-1 -3 -15 30.60 18.70
-1 -3 -15 33.00 31.40
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15 -3 -1 41.10 32.70
15 -3 -1 36.40 35.40
-1 15 -3 34.10 15.80
-1 15 -3 31.70 16.10
-15 -3 1 63.49 20.20
-1 3 15 55.59 11.90
-1 3 15 55.99 18.70
-15 3 -1 45.70 17.80
1 -3 15 43.00 15.40
1 -3 15 65.99 19.20
1 -3 15 29.40 24.40
1 3 -15 52.29 16.60
1 3 -15 81.19 28.50
-3 1 -15 48.50 19.80
3 -1 -15 132.49 29.20
-1 -15 3 25.70 25.70
15 1 -3 54.39 11.20
-3 -1 15 41.20 11.30
3 -15 1 26.10 21.30
3 -15 1 34.80 29.80
3 -15 1 122.79 44.70
3 15 -1 52.19 19.40
3 15 -1 38.20 18.50
3 15 -1 38.30 16.90
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-15 3 -1 -12.60 20.60
-3 1 -15 71.59 21.00
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-15 -3 1 93.69 20.80
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15 1 -3 39.50 29.30
15 1 -3 2.90 17.10
15 1 -3 31.50 30.20
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15 -1 -3 -4.00 24.80
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1 -15 3 -31.20 29.30
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1 15 -3 45.40 18.70
1 15 -3 45.30 16.50
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3 -15 -1 191.38 46.40
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-1 -3 15 47.30 16.40
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15 -3 1 76.29 39.70
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15 3 -1 49.99 15.30
15 3 -1 61.19 21.10
15 3 -1 44.40 42.10
-15 -1 3 21.10 16.20
-15 -1 3 36.00 28.50
-15 -1 3 66.29 21.90
-15 1 -3 36.80 17.40
0 0 0 0.00 0.00
_computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)'
;
_shelx_hkl_checksum 6703
_shelx_res_file
;
mg6ni16ge7.res created by SHELXL-2014/7
TITL Mg2Ni3Ge_0m_a.res in Fm-3m
REM Old TITL Mg2Ni3Ge_0m in Fm-3m
REM SHELXT solution in Fm-3m
REM R1 0.037, Rweak 0.003, Alpha 0.024, Orientation as input
REM Formula found by SHELXT: Ge7 Mg6 Ni16
CELL 0.71073 11.5036 11.5036 11.5036 90.000 90.000 90.000
ZERR 16.000 0.0006 0.0006 0.0006 0.000 0.000 0.000
LATT 4
SYMM -X, -Y, Z
SYMM -X, Y, -Z
SYMM X, -Y, -Z
SYMM Z, X, Y
SYMM Z, -X, -Y
SYMM -Z, -X, Y
SYMM -Z, X, -Y
SYMM Y, Z, X
SYMM -Y, Z, -X
SYMM Y, -Z, -X
SYMM -Y, -Z, X
SYMM Y, X, -Z
SYMM -Y, -X, -Z
SYMM Y, -X, Z
SYMM -Y, X, Z
SYMM X, Z, -Y
SYMM -X, Z, Y
SYMM -X, -Z, -Y
SYMM X, -Z, Y
SYMM Z, Y, -X
SYMM Z, -Y, X
SYMM -Z, Y, X
SYMM -Z, -Y, -X
SFAC MG NI GE
UNIT 5.58 16 7.42
L.S. 10
BOND $H
LIST 4
FMAP 2
PLAN 20
eadp Mg Ge
exyz Mg Ge
Acta
WGHT 0.000000 35.381100
FVAR 0.06213
GE1 3 0.000000 0.000000 0.000000 10.02083 0.00396 0.00396 =
0.00396 0.00000 0.00000 0.00000
GE2 3 0.000000 0.250000 0.250000 10.12500 0.00393 0.00466 =
0.00466 0.00021 0.00000 0.00000
NI1 2 0.331291 0.331291 0.331291 10.16667 0.00491 0.00491 =
0.00491 0.00057 0.00057 0.00057
NI2 2 0.118603 0.118603 0.118603 10.16667 0.00509 0.00509 =
0.00509 -0.00015 -0.00015 -0.00015
MG 1 0.295888 0.000000 0.000000 10.11613 0.00731 0.00347 =
0.00347 0.00000 0.00000 0.00000
GE 3 0.295888 0.000000 0.000000 10.00887 0.00731 0.00347 =
0.00347 0.00000 0.00000 0.00000
HKLF 4
REM Mg2Ni3Ge_0m_a.res in Fm-3m
REM R1 = 0.0125 for 120 Fo > 4sig(Fo) and 0.0151 for all 131 data
REM 14 parameters refined using 0 restraints
END
WGHT 0.0000 35.4315
REM Highest difference peak 0.632, deepest hole -0.628, 1-sigma level 0.135
Q1 1 0.0864 0.0000 0.0864 10.25000 0.05 0.63
Q2 1 0.0000 0.0000 0.1415 10.12500 0.05 0.49
Q3 1 -0.1322 0.0000 0.0412 10.50000 0.05 0.48
Q4 1 0.1815 0.1815 0.1815 10.16667 0.05 0.42
Q5 1 0.2958 0.2958 0.4179 10.50000 0.05 0.36
Q6 1 0.0000 0.0000 0.0544 10.12500 0.05 0.34
Q7 1 0.0000 0.2373 0.1734 10.50000 0.05 0.34
Q8 1 0.2891 -0.0325 0.0000 10.50000 0.05 0.32
Q9 1 0.3606 0.3606 0.3126 10.50000 0.05 0.29
Q10 1 0.4184 0.0816 0.0000 10.25000 0.05 0.28
Q11 1 0.3657 0.0000 0.0000 10.12500 0.05 0.27
Q12 1 0.3759 0.0000 0.0909 10.50000 0.05 0.26
Q13 1 0.4214 0.0000 -0.0481 10.50000 0.05 0.25
Q14 1 0.4053 0.0000 0.0000 10.12500 0.05 0.24
Q15 1 0.1532 0.1532 0.2197 10.50000 0.05 0.24
Q16 1 0.4253 0.2907 0.3218 11.00000 0.05 0.24
Q17 1 0.2113 0.2113 0.1281 10.50000 0.05 0.24
Q18 1 0.2210 -0.0955 0.0000 10.50000 0.05 0.23
Q19 1 0.3129 0.3129 0.3129 10.16667 0.05 0.23
Q20 1 0.5000 0.0000 0.0000 10.02083 0.05 0.22
;
_shelx_res_checksum 46702
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, x'
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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge Ge1 0.0000 0.0000 0.0000 0.0040(4) Uani d 1 . .
Ge Ge2 0.0000 0.2500 0.2500 0.00442(18) Uani d 1 . .
Ni Ni1 0.33129(4) 0.33129(4) 0.33129(4) 0.00491(19) Uani d 1 . .
Ni Ni2 0.11860(4) 0.11860(4) 0.11860(4) 0.00509(19) Uani d 1 . .
Mg Mg 0.2959(2) 0.0000 0.0000 0.0048(4) Uani d 0.929(4) . .
Ge Ge 0.2959(2) 0.0000 0.0000 0.0048(4) Uani d 0.071(4) . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ge1 0.0040(4) 0.0040(4) 0.0040(4) 0.000 0.000 0.000
Ge2 0.0039(4) 0.0047(2) 0.0047(2) 0.000 0.000 0.0002(3)
Ni1 0.00491(19) 0.00491(19) 0.00491(19) 0.00057(18) 0.00057(18) 0.00057(18)
Ni2 0.00509(19) 0.00509(19) 0.00509(19) -0.00015(18) -0.00015(18) -0.00015(18)
Mg 0.0073(10) 0.0035(6) 0.0035(6) 0.000 0.000 0.000
Ge 0.0073(10) 0.0035(6) 0.0035(6) 0.000 0.000 0.000
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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
Ni2 Ge1 Ni2 . 97 180.00(4) ?
Ni2 Ge1 Ni2 . 100 70.5 ?
Ni2 Ge1 Ni2 97 100 109.5 ?
Ni2 Ge1 Ni2 . 2 109.5 ?
Ni2 Ge1 Ni2 97 2 70.5 ?
Ni2 Ge1 Ni2 100 2 70.5 ?
Ni2 Ge1 Ni2 . 98 70.5 ?
Ni2 Ge1 Ni2 97 98 109.5 ?
Ni2 Ge1 Ni2 100 98 109.5 ?
Ni2 Ge1 Ni2 2 98 180.00(6) ?
Ni2 Ge1 Ni2 . 3 109.5 ?
Ni2 Ge1 Ni2 97 3 70.5290(10) ?
Ni2 Ge1 Ni2 100 3 70.5 ?
Ni2 Ge1 Ni2 2 3 109.5 ?
Ni2 Ge1 Ni2 98 3 70.5 ?
Ni2 Ge1 Ni2 . 99 70.5 ?
Ni2 Ge1 Ni2 97 99 109.5 ?
Ni2 Ge1 Ni2 100 99 109.5 ?
Ni2 Ge1 Ni2 2 99 70.5 ?
Ni2 Ge1 Ni2 98 99 109.5 ?
Ni2 Ge1 Ni2 3 99 180.00(6) ?
Ni2 Ge1 Ni2 . 4 109.5 ?
Ni2 Ge1 Ni2 97 4 70.5 ?
Ni2 Ge1 Ni2 100 4 180.00(4) ?
Ni2 Ge1 Ni2 2 4 109.5 ?
Ni2 Ge1 Ni2 98 4 70.5 ?
Ni2 Ge1 Ni2 3 4 109.5 ?
Ni2 Ge1 Ni2 99 4 70.5 ?
Ni1 Ge2 Ni1 171_455 51 180.0 ?
Ni1 Ge2 Ni1 171_455 74 111.46(4) ?
Ni1 Ge2 Ni1 51 74 68.54(4) ?
Ni1 Ge2 Ni1 171_455 146_455 68.54(4) ?
Ni1 Ge2 Ni1 51 146_455 111.46(4) ?
Ni1 Ge2 Ni1 74 146_455 180.0 ?
Ni1 Ge2 Ni2 171_455 100 63.601(15) ?
Ni1 Ge2 Ni2 51 100 116.399(15) ?
Ni1 Ge2 Ni2 74 100 116.399(15) ?
Ni1 Ge2 Ni2 146_455 100 63.601(15) ?
Ni1 Ge2 Ni2 171_455 28 116.399(15) ?
Ni1 Ge2 Ni2 51 28 63.601(15) ?
Ni1 Ge2 Ni2 74 28 63.601(15) ?
Ni1 Ge2 Ni2 146_455 28 116.399(15) ?
Ni2 Ge2 Ni2 100 28 180.00(3) ?
Ni1 Ge2 Ni2 171_455 121 63.601(15) ?
Ni1 Ge2 Ni2 51 121 116.399(15) ?
Ni1 Ge2 Ni2 74 121 116.399(15) ?
Ni1 Ge2 Ni2 146_455 121 63.601(15) ?
Ni2 Ge2 Ni2 100 121 114.90(3) ?
Ni2 Ge2 Ni2 28 121 65.10(3) ?
Ni1 Ge2 Ni2 171_455 . 116.398(15) ?
Ni1 Ge2 Ni2 51 . 63.602(15) ?
Ni1 Ge2 Ni2 74 . 63.602(15) ?
Ni1 Ge2 Ni2 146_455 . 116.398(15) ?
Ni2 Ge2 Ni2 100 . 65.10(3) ?
Ni2 Ge2 Ni2 28 . 114.90(3) ?
Ni2 Ge2 Ni2 121 . 180.0 ?
Ni1 Ge2 Ge 171_455 129 117.61(2) ?
Ni1 Ge2 Ge 51 129 62.39(2) ?
Ni1 Ge2 Ge 74 129 117.61(2) ?
Ni1 Ge2 Ge 146_455 129 62.39(2) ?
Ni2 Ge2 Ge 100 129 118.60(4) ?
Ni2 Ge2 Ge 28 129 61.40(4) ?
Ni2 Ge2 Ge 121 129 61.40(4) ?
Ni2 Ge2 Ge . 129 118.60(4) ?
Ni1 Ge2 Mg 171_455 5 117.61(2) ?
Ni1 Ge2 Mg 51 5 62.39(2) ?
Ni1 Ge2 Mg 74 5 117.61(2) ?
Ni1 Ge2 Mg 146_455 5 62.39(2) ?
Ni2 Ge2 Mg 100 5 61.40(4) ?
Ni2 Ge2 Mg 28 5 118.60(4) ?
Ni2 Ge2 Mg 121 5 118.60(4) ?
Ni2 Ge2 Mg . 5 61.40(4) ?
Ge Ge2 Mg 129 5 69.2 ?
Ni1 Ge2 Mg 171_455 125 62.39(2) ?
Ni1 Ge2 Mg 51 125 117.61(2) ?
Ni1 Ge2 Mg 74 125 62.39(2) ?
Ni1 Ge2 Mg 146_455 125 117.61(2) ?
Ni2 Ge2 Mg 100 125 118.60(4) ?
Ni2 Ge2 Mg 28 125 61.40(4) ?
Ni2 Ge2 Mg 121 125 61.40(4) ?
Ni2 Ge2 Mg . 125 118.60(4) ?
Ge Ge2 Mg 129 125 110.8 ?
Mg Ge2 Mg 5 125 180.0 ?
Ni1 Ge2 Mg 171_455 9 62.39(2) ?
Ni1 Ge2 Mg 51 9 117.61(2) ?
Ni1 Ge2 Mg 74 9 62.39(2) ?
Ni1 Ge2 Mg 146_455 9 117.61(2) ?
Ni2 Ge2 Mg 100 9 61.40(4) ?
Ni2 Ge2 Mg 28 9 118.60(4) ?
Ni2 Ge2 Mg 121 9 118.60(4) ?
Ni2 Ge2 Mg . 9 61.40(4) ?
Ge Ge2 Mg 129 9 180.0 ?
Mg Ge2 Mg 5 9 110.80(9) ?
Mg Ge2 Mg 125 9 69.20(9) ?
Ge2 Ni1 Ge2 58 74 119.9700(10) ?
Ge2 Ni1 Ge2 58 30 119.9700(10) ?
Ge2 Ni1 Ge2 74 30 119.9700(10) ?
Ge2 Ni1 Ni2 58 74 164.15(4) ?
Ge2 Ni1 Ni2 74 74 61.740(4) ?
Ge2 Ni1 Ni2 30 74 61.740(4) ?
Ge2 Ni1 Ni2 58 28 61.740(4) ?
Ge2 Ni1 Ni2 74 28 164.15(4) ?
Ge2 Ni1 Ni2 30 28 61.740(4) ?
Ni2 Ni1 Ni2 74 28 111.970(18) ?
Ge2 Ni1 Ni2 58 51 61.740(4) ?
Ge2 Ni1 Ni2 74 51 61.740(4) ?
Ge2 Ni1 Ni2 30 51 164.15(4) ?
Ni2 Ni1 Ni2 74 51 111.970(18) ?
Ni2 Ni1 Ni2 28 51 111.970(18) ?
Ge2 Ni1 Ni1 58 51 107.624(17) ?
Ge2 Ni1 Ni1 74 51 107.624(17) ?
Ge2 Ni1 Ni1 30 51 55.73(2) ?
Ni2 Ni1 Ni1 74 51 59.148(17) ?
Ni2 Ni1 Ni1 28 51 59.148(17) ?
Ni2 Ni1 Ni1 51 51 108.43(2) ?
Ge2 Ni1 Ni1 58 74 55.73(2) ?
Ge2 Ni1 Ni1 74 74 107.624(17) ?
Ge2 Ni1 Ni1 30 74 107.624(17) ?
Ni2 Ni1 Ni1 74 74 108.43(2) ?
Ni2 Ni1 Ni1 28 74 59.148(17) ?
Ni2 Ni1 Ni1 51 74 59.148(17) ?
Ni1 Ni1 Ni1 51 74 60.0 ?
Ge2 Ni1 Ni1 58 28 107.624(17) ?
Ge2 Ni1 Ni1 74 28 55.73(2) ?
Ge2 Ni1 Ni1 30 28 107.624(17) ?
Ni2 Ni1 Ni1 74 28 59.148(17) ?
Ni2 Ni1 Ni1 28 28 108.43(2) ?
Ni2 Ni1 Ni1 51 28 59.148(17) ?
Ni1 Ni1 Ni1 51 28 60.0 ?
Ni1 Ni1 Ni1 74 28 60.0 ?
Ge2 Ni1 Ge 58 81 132.71(6) ?
Ge2 Ni1 Ge 74 81 69.03(2) ?
Ge2 Ni1 Ge 30 81 69.03(2) ?
Ni2 Ni1 Ge 74 81 63.13(5) ?
Ni2 Ni1 Ge 28 81 122.689(18) ?
Ni2 Ni1 Ge 51 81 122.689(18) ?
Ni1 Ni1 Ge 51 81 113.00(4) ?
Ni1 Ni1 Ge 74 81 171.56(5) ?
Ni1 Ni1 Ge 28 81 113.00(4) ?
Ge2 Ni1 Mg 58 25 69.03(2) ?
Ge2 Ni1 Mg 74 25 132.71(6) ?
Ge2 Ni1 Mg 30 25 69.03(2) ?
Ni2 Ni1 Mg 74 25 122.689(18) ?
Ni2 Ni1 Mg 28 25 63.13(5) ?
Ni2 Ni1 Mg 51 25 122.689(18) ?
Ni1 Ni1 Mg 51 25 113.00(4) ?
Ni1 Ni1 Mg 74 25 113.00(4) ?
Ni1 Ni1 Mg 28 25 171.56(5) ?
Ge Ni1 Mg 81 25 73.5 ?
Ge2 Ni1 Mg 58 53 69.03(2) ?
Ge2 Ni1 Mg 74 53 69.03(2) ?
Ge2 Ni1 Mg 30 53 132.71(6) ?
Ni2 Ni1 Mg 74 53 122.689(18) ?
Ni2 Ni1 Mg 28 53 122.689(18) ?
Ni2 Ni1 Mg 51 53 63.13(5) ?
Ni1 Ni1 Mg 51 53 171.56(5) ?
Ni1 Ni1 Mg 74 53 113.00(4) ?
Ni1 Ni1 Mg 28 53 113.00(4) ?
Ge Ni1 Mg 81 53 73.5 ?
Mg Ni1 Mg 25 53 73.51(7) ?
Ge1 Ni2 Ge2 . 9 112.187(17) ?
Ge1 Ni2 Ge2 . . 112.187(17) ?
Ge2 Ni2 Ge2 9 . 106.624(19) ?
Ge1 Ni2 Ge2 . 5 112.187(17) ?
Ge2 Ni2 Ge2 9 5 106.624(19) ?
Ge2 Ni2 Ge2 . 5 106.624(19) ?
Ge1 Ni2 Ni1 . 51 143.69(2) ?
Ge2 Ni2 Ni1 9 51 54.658(12) ?
Ge2 Ni2 Ni1 . 51 54.658(12) ?
Ge2 Ni2 Ni1 5 51 104.12(3) ?
Ge1 Ni2 Ni1 . 28 143.69(2) ?
Ge2 Ni2 Ni1 9 28 54.658(12) ?
Ge2 Ni2 Ni1 . 28 104.12(3) ?
Ge2 Ni2 Ni1 5 28 54.658(12) ?
Ni1 Ni2 Ni1 51 28 61.70(3) ?
Ge1 Ni2 Ni1 . 74 143.69(2) ?
Ge2 Ni2 Ni1 9 74 104.12(3) ?
Ge2 Ni2 Ni1 . 74 54.658(12) ?
Ge2 Ni2 Ni1 5 74 54.658(12) ?
Ni1 Ni2 Ni1 51 74 61.70(3) ?
Ni1 Ni2 Ni1 28 74 61.70(3) ?
Ge1 Ni2 Ni2 . 100 54.7 ?
Ge2 Ni2 Ni2 9 100 126.587(8) ?
Ge2 Ni2 Ni2 . 100 57.451(17) ?
Ge2 Ni2 Ni2 5 100 126.587(8) ?
Ni1 Ni2 Ni2 51 100 102.914(14) ?
Ni1 Ni2 Ni2 28 100 161.57(2) ?
Ni1 Ni2 Ni2 74 100 102.914(14) ?
Ge1 Ni2 Ni2 . 99 54.7 ?
Ge2 Ni2 Ni2 9 99 126.587(8) ?
Ge2 Ni2 Ni2 . 99 126.587(8) ?
Ge2 Ni2 Ni2 5 99 57.451(17) ?
Ni1 Ni2 Ni2 51 99 161.57(2) ?
Ni1 Ni2 Ni2 28 99 102.914(14) ?
Ni1 Ni2 Ni2 74 99 102.914(14) ?
Ni2 Ni2 Ni2 100 99 90.0 ?
Ge1 Ni2 Ni2 . 98 54.7 ?
Ge2 Ni2 Ni2 9 98 57.451(17) ?
Ge2 Ni2 Ni2 . 98 126.587(8) ?
Ge2 Ni2 Ni2 5 98 126.587(8) ?
Ni1 Ni2 Ni2 51 98 102.914(14) ?
Ni1 Ni2 Ni2 28 98 102.914(14) ?
Ni1 Ni2 Ni2 74 98 161.57(2) ?
Ni2 Ni2 Ni2 100 98 90.0 ?
Ni2 Ni2 Ni2 99 98 90.0 ?
Ge1 Ni2 Ge . 9 81.85(4) ?
Ge2 Ni2 Ge 9 9 165.96(5) ?
Ge2 Ni2 Ge . 9 66.123(16) ?
Ge2 Ni2 Ge 5 9 66.123(16) ?
Ni1 Ni2 Ge 51 9 114.04(3) ?
Ni1 Ni2 Ge 28 9 114.04(3) ?
Ni1 Ni2 Ge 74 9 61.84(4) ?
Ni2 Ni2 Ge 100 9 60.92(2) ?
Ni2 Ni2 Ge 99 9 60.92(2) ?
Ni2 Ni2 Ge 98 9 136.59(4) ?
Ge1 Ni2 Ge . 5 81.85(4) ?
Ge2 Ni2 Ge 9 5 66.123(16) ?
Ge2 Ni2 Ge . 5 66.123(16) ?
Ge2 Ni2 Ge 5 5 165.96(5) ?
Ni1 Ni2 Ge 51 5 61.84(4) ?
Ni1 Ni2 Ge 28 5 114.04(3) ?
Ni1 Ni2 Ge 74 5 114.04(3) ?
Ni2 Ni2 Ge 100 5 60.92(2) ?
Ni2 Ni2 Ge 99 5 136.59(4) ?
Ni2 Ni2 Ge 98 5 60.92(2) ?
Ge Ni2 Ge 9 5 118.025(17) ?
Ni1 Mg Ni1 28 25_544 163.12(10) ?
Ni1 Mg Ni1 28 123_554 88.766(14) ?
Ni1 Mg Ni1 25_544 123_554 88.766(14) ?
Ni1 Mg Ni1 28 122_545 88.766(14) ?
Ni1 Mg Ni1 25_544 122_545 88.766(14) ?
Ni1 Mg Ni1 123_554 122_545 163.12(10) ?
Ni1 Mg Ni2 28 . 55.03(2) ?
Ni1 Mg Ni2 25_544 . 141.85(8) ?
Ni1 Mg Ni2 123_554 . 96.12(3) ?
Ni1 Mg Ni2 122_545 . 96.12(3) ?
Ni1 Mg Ni2 28 4 141.85(8) ?
Ni1 Mg Ni2 25_544 4 55.03(2) ?
Ni1 Mg Ni2 123_554 4 96.12(3) ?
Ni1 Mg Ni2 122_545 4 96.12(3) ?
Ni2 Mg Ni2 . 4 86.83(7) ?
Ni1 Mg Ni2 28 99 96.12(3) ?
Ni1 Mg Ni2 25_544 99 96.12(3) ?
Ni1 Mg Ni2 123_554 99 141.85(8) ?
Ni1 Mg Ni2 122_545 99 55.03(2) ?
Ni2 Mg Ni2 . 99 58.15(4) ?
Ni2 Mg Ni2 4 99 58.15(4) ?
Ni1 Mg Ni2 28 98 96.12(3) ?
Ni1 Mg Ni2 25_544 98 96.12(3) ?
Ni1 Mg Ni2 123_554 98 55.03(2) ?
Ni1 Mg Ni2 122_545 98 141.85(8) ?
Ni2 Mg Ni2 . 98 58.15(4) ?
Ni2 Mg Ni2 4 98 58.15(4) ?
Ni2 Mg Ni2 99 98 86.83(7) ?
Ni1 Mg Ge2 28 6 135.598(4) ?
Ni1 Mg Ge2 25_544 6 48.589(5) ?
Ni1 Mg Ge2 123_554 6 48.589(5) ?
Ni1 Mg Ge2 122_545 6 135.598(4) ?
Ni2 Mg Ge2 . 6 110.29(6) ?
Ni2 Mg Ge2 4 6 52.47(2) ?
Ni2 Mg Ge2 99 6 110.29(6) ?
Ni2 Mg Ge2 98 6 52.47(2) ?
Ni1 Mg Ge2 28 82_545 135.598(4) ?
Ni1 Mg Ge2 25_544 82_545 48.589(5) ?
Ni1 Mg Ge2 123_554 82_545 135.598(4) ?
Ni1 Mg Ge2 122_545 82_545 48.589(5) ?
Ni2 Mg Ge2 . 82_545 110.29(6) ?
Ni2 Mg Ge2 4 82_545 52.47(2) ?
Ni2 Mg Ge2 99 82_545 52.47(2) ?
Ni2 Mg Ge2 98 82_545 110.29(6) ?
Ge2 Mg Ge2 6 82_545 88.132(16) ?
Ni1 Mg Ge2 28 5 48.589(5) ?
Ni1 Mg Ge2 25_544 5 135.598(4) ?
Ni1 Mg Ge2 123_554 5 135.598(4) ?
Ni1 Mg Ge2 122_545 5 48.589(5) ?
Ni2 Mg Ge2 . 5 52.47(2) ?
Ni2 Mg Ge2 4 5 110.29(6) ?
Ni2 Mg Ge2 99 5 52.47(2) ?
Ni2 Mg Ge2 98 5 110.29(6) ?
Ge2 Mg Ge2 6 5 159.20(9) ?
Ge2 Mg Ge2 82_545 5 88.132(16) ?
Ni1 Mg Ge2 28 9 48.589(5) ?
Ni1 Mg Ge2 25_544 9 135.598(4) ?
Ni1 Mg Ge2 123_554 9 48.589(5) ?
Ni1 Mg Ge2 122_545 9 135.598(4) ?
Ni2 Mg Ge2 . 9 52.47(2) ?
Ni2 Mg Ge2 4 9 110.29(6) ?
Ni2 Mg Ge2 99 9 110.29(6) ?
Ni2 Mg Ge2 98 9 52.47(2) ?
Ge2 Mg Ge2 6 9 88.132(16) ?
Ge2 Mg Ge2 82_545 9 159.20(9) ?
Ge2 Mg Ge2 5 9 88.132(16) ?
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
Ge1 Ni2 . 2.3631(8) ?
Ge1 Ni2 97 2.3632(8) ?
Ge1 Ni2 100 2.3632(8) ?
Ge1 Ni2 2 2.3632(8) ?
Ge1 Ni2 98 2.3632(8) ?
Ge1 Ni2 3 2.3632(8) ?
Ge1 Ni2 99 2.3632(8) ?
Ge1 Ni2 4 2.3632(8) ?
Ge2 Ni1 171_455 2.34852(12) ?
Ge2 Ni1 51 2.34852(12) ?
Ge2 Ni1 74 2.34852(12) ?
Ge2 Ni1 146_455 2.34852(12) ?
Ge2 Ni2 100 2.5359(3) ?
Ge2 Ni2 28 2.5359(3) ?
Ge2 Ni2 121 2.5359(3) ?
Ge2 Ni2 . 2.5359(3) ?
Ge2 Ge 129 2.9239(4) ?
Ge2 Mg 5 2.9239(4) ?
Ge2 Mg 125 2.9239(4) ?
Ge2 Mg 9 2.9239(4) ?
Ni1 Ge2 58 2.34851(12) ?
Ni1 Ge2 74 2.34851(13) ?
Ni1 Ge2 30 2.34851(13) ?
Ni1 Ni2 74 2.5788(7) ?
Ni1 Ni2 28 2.5788(7) ?
Ni1 Ni2 51 2.5788(7) ?
Ni1 Ni1 51 2.6450(14) ?
Ni1 Ni1 74 2.6450(14) ?
Ni1 Ni1 28 2.6450(14) ?
Ni1 Ge 81 2.7747(7) ?
Ni1 Mg 25 2.7747(7) ?
Ni1 Mg 53 2.7747(7) ?
Ni2 Ge2 9 2.5359(3) ?
Ni2 Ge2 5 2.5359(3) ?
Ni2 Ni1 51 2.5789(7) ?
Ni2 Ni1 28 2.5789(7) ?
Ni2 Ni1 74 2.5789(7) ?
Ni2 Ni2 100 2.7288(9) ?
Ni2 Ni2 99 2.7288(9) ?
Ni2 Ni2 98 2.7288(9) ?
Ni2 Ge 9 2.8075(17) ?
Ni2 Ge 5 2.8075(17) ?
Mg Ni1 28 2.7747(7) ?
Mg Ni1 25_544 2.7747(7) ?
Mg Ni1 123_554 2.7747(7) ?
Mg Ni1 122_545 2.7747(7) ?
Mg Ni2 4 2.8075(17) ?
Mg Ni2 99 2.8075(17) ?
Mg Ni2 98 2.8075(17) ?
Mg Ge2 6 2.9239(4) ?
Mg Ge2 82_545 2.9239(4) ?
Mg Ge2 5 2.9239(4) ?
Mg Ge2 9 2.9239(4) ?
_cod_database_fobs_code 2312475