#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:53:44 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179216 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/43/4314343.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_4314343
loop_
_publ_author_name
'Marina A. Zhuravleva'
'Robert J. Pcionek'
'Xiaoping Wang'
'Arthur J. Schultz'
'Mercouri G. Kanatzidis'
_publ_section_title
;
 REMGa3Ge and RE3Ni3Ga8Ge3 (M = Ni, Co; RE = Rare-Earth Element): New
 Intermetallics Synthesized in Liquid Gallium. X-ray, Electron, and
 Neutron Structure Determination and Magnetism
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6412
_journal_page_last               6424
_journal_paper_doi               10.1021/ic0341892
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'Ga3 Ge Ni Y'
_chemical_formula_weight         429.37
_chemical_name_systematic
;
?
;
_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            4
_cell_length_a                   4.1748(10)
_cell_length_b                   4.1748(10)
_cell_length_c                   23.710(8)
_cell_measurement_temperature    296(2)
_cell_volume                     413.2(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_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  0.0569
_diffrn_reflns_av_sigmaI/netI    0.0300
_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       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            1944
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    44.575
_exptl_crystal_density_diffrn    6.901
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             768
_refine_diff_density_max         0.987
_refine_diff_density_min         -1.460
_refine_diff_density_rms         0.304
_refine_ls_extinction_coef       0.0009(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_reflns         194
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0333
_refine_ls_R_factor_gt           0.0298
_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)+(0.0451P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0787
_refine_ls_wR_factor_ref         0.0797
_reflns_number_gt                167
_reflns_number_total             194
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0341892si20030729_022830_2.cif
_cod_data_source_block           2
_cod_original_cell_volume        413.24(19)
_cod_database_code               4314343
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.0000 0.0000 0.14965(5) 0.0083(4) Uani 1 8 d S . .
Ga2 Ga 0.0000 0.5000 0.2500 0.0312(6) Uani 1 8 d S . .
Ga1 Ga 0.0000 0.5000 0.05515(5) 0.0140(4) Uani 1 4 d S . .
Ge1 Ge 0.0000 0.0000 0.3523(2) 0.0132(9) Uani 0.50 8 d SP . .
Ni2 Ni 0.0000 0.0000 0.28307(17) 0.0187(9) Uani 0.50 8 d SP . .
Ni1 Ni 0.0000 0.0000 0.0000 0.0091(6) Uani 1 16 d S . .
Ge2 Ge 0.0000 0.0000 0.3794(2) 0.0134(9) Uani 0.50 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'
Ga Ga 0.2307 1.6083 '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'
Y Y -2.7962 3.5667 '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
Ge1 Y1 Ge1 178.25(19) 25 25_445 ?
Ge1 Y1 Ge1 89.987(3) 25 25_455 ?
Ge1 Y1 Ge1 89.987(3) 25_445 25_455 ?
Ge1 Y1 Ge1 89.987(3) 25 25_545 ?
Ge1 Y1 Ge1 89.987(3) 25_445 25_545 ?
Ge1 Y1 Ge1 178.25(19) 25_455 25_545 ?
Ge1 Y1 Ge2 165.97(18) 25 25_445 ?
Ge1 Y1 Ge2 12.28(7) 25_445 25_445 ?
Ge1 Y1 Ge2 89.80(2) 25_455 25_445 ?
Ge1 Y1 Ge2 89.80(2) 25_545 25_445 ?
Ge1 Y1 Ge2 12.28(7) 25 25 ?
Ge1 Y1 Ge2 165.97(18) 25_445 25 ?
Ge1 Y1 Ge2 89.80(2) 25_455 25 ?
Ge1 Y1 Ge2 89.80(2) 25_545 25 ?
Ge2 Y1 Ge2 153.69(19) 25_445 25 ?
Ge1 Y1 Ge2 89.80(2) 25 25_455 ?
Ge1 Y1 Ge2 89.80(2) 25_445 25_455 ?
Ge1 Y1 Ge2 12.28(7) 25_455 25_455 ?
Ge1 Y1 Ge2 165.97(18) 25_545 25_455 ?
Ge2 Y1 Ge2 87.03(4) 25_445 25_455 ?
Ge2 Y1 Ge2 87.03(4) 25 25_455 ?
Ge1 Y1 Ge2 89.80(2) 25 25_545 ?
Ge1 Y1 Ge2 89.80(2) 25_445 25_545 ?
Ge1 Y1 Ge2 165.97(18) 25_455 25_545 ?
Ge1 Y1 Ge2 12.28(7) 25_545 25_545 ?
Ge2 Y1 Ge2 87.03(4) 25_445 25_545 ?
Ge2 Y1 Ge2 87.03(4) 25 25_545 ?
Ge2 Y1 Ge2 153.69(19) 25_455 25_545 ?
Ge1 Y1 Ga1 118.08(9) 25 1_545 ?
Ge1 Y1 Ga1 60.45(8) 25_445 1_545 ?
Ge1 Y1 Ga1 118.08(9) 25_455 1_545 ?
Ge1 Y1 Ga1 60.45(8) 25_545 1_545 ?
Ge2 Y1 Ga1 50.52(7) 25_445 1_545 ?
Ge2 Y1 Ga1 107.63(9) 25 1_545 ?
Ge2 Y1 Ga1 107.63(9) 25_455 1_545 ?
Ge2 Y1 Ga1 50.52(7) 25_545 1_545 ?
Ge1 Y1 Ga1 118.08(9) 25 3 ?
Ge1 Y1 Ga1 60.45(8) 25_445 3 ?
Ge1 Y1 Ga1 60.45(8) 25_455 3 ?
Ge1 Y1 Ga1 118.08(9) 25_545 3 ?
Ge2 Y1 Ga1 50.52(7) 25_445 3 ?
Ge2 Y1 Ga1 107.63(9) 25 3 ?
Ge2 Y1 Ga1 50.52(7) 25_455 3 ?
Ge2 Y1 Ga1 107.63(9) 25_545 3 ?
Ga1 Y1 Ga1 57.63(3) 1_545 3 ?
Ge1 Y1 Ga1 60.45(8) 25 3_655 ?
Ge1 Y1 Ga1 118.08(9) 25_445 3_655 ?
Ge1 Y1 Ga1 118.08(9) 25_455 3_655 ?
Ge1 Y1 Ga1 60.45(8) 25_545 3_655 ?
Ge2 Y1 Ga1 107.63(9) 25_445 3_655 ?
Ge2 Y1 Ga1 50.52(7) 25 3_655 ?
Ge2 Y1 Ga1 107.63(9) 25_455 3_655 ?
Ge2 Y1 Ga1 50.52(7) 25_545 3_655 ?
Ga1 Y1 Ga1 57.63(3) 1_545 3_655 ?
Ga1 Y1 Ga1 85.95(5) 3 3_655 ?
Ge1 Y1 Ga1 60.45(8) 25 . ?
Ge1 Y1 Ga1 118.08(9) 25_445 . ?
Ge1 Y1 Ga1 60.45(8) 25_455 . ?
Ge1 Y1 Ga1 118.08(9) 25_545 . ?
Ge2 Y1 Ga1 107.63(9) 25_445 . ?
Ge2 Y1 Ga1 50.52(7) 25 . ?
Ge2 Y1 Ga1 50.52(7) 25_455 . ?
Ge2 Y1 Ga1 107.63(9) 25_545 . ?
Ga1 Y1 Ga1 85.95(5) 1_545 . ?
Ga1 Y1 Ga1 57.63(3) 3 . ?
Ga1 Y1 Ga1 57.63(3) 3_655 . ?
Ni2 Ga2 Ni2 97.10(7) . 25_455 ?
Ni2 Ga2 Ni2 138.8(2) . 1_565 ?
Ni2 Ga2 Ni2 97.10(7) 25_455 1_565 ?
Ni2 Ga2 Ni2 97.10(7) . 25 ?
Ni2 Ga2 Ni2 138.8(2) 25_455 25 ?
Ni2 Ga2 Ni2 97.10(7) 1_565 25 ?
Ni2 Ga2 Ga2 131.45(3) . 25_565 ?
Ni2 Ga2 Ga2 131.45(3) 25_455 25_565 ?
Ni2 Ga2 Ga2 48.55(3) 1_565 25_565 ?
Ni2 Ga2 Ga2 48.55(3) 25 25_565 ?
Ni2 Ga2 Ga2 48.55(3) . 25_455 ?
Ni2 Ga2 Ga2 48.55(3) 25_455 25_455 ?
Ni2 Ga2 Ga2 131.45(3) 1_565 25_455 ?
Ni2 Ga2 Ga2 131.45(3) 25 25_455 ?
Ga2 Ga2 Ga2 180.0 25_565 25_455 ?
Ni2 Ga2 Ga2 131.45(3) . 25_465 ?
Ni2 Ga2 Ga2 48.55(3) 25_455 25_465 ?
Ni2 Ga2 Ga2 48.55(3) 1_565 25_465 ?
Ni2 Ga2 Ga2 131.45(3) 25 25_465 ?
Ga2 Ga2 Ga2 90.0 25_565 25_465 ?
Ga2 Ga2 Ga2 90.0 25_455 25_465 ?
Ni2 Ga2 Ga2 48.55(3) . 25 ?
Ni2 Ga2 Ga2 131.45(3) 25_455 25 ?
Ni2 Ga2 Ga2 131.45(3) 1_565 25 ?
Ni2 Ga2 Ga2 48.55(3) 25 25 ?
Ga2 Ga2 Ga2 90.0 25_565 25 ?
Ga2 Ga2 Ga2 90.0 25_455 25 ?
Ga2 Ga2 Ga2 180.0 25_465 25 ?
Ni2 Ga2 Y1 69.33(10) . . ?
Ni2 Ga2 Y1 74.67(7) 25_455 . ?
Ni2 Ga2 Y1 151.85(10) 1_565 . ?
Ni2 Ga2 Y1 74.67(7) 25 . ?
Ga2 Ga2 Y1 117.797(11) 25_565 . ?
Ga2 Ga2 Y1 62.203(12) 25_455 . ?
Ga2 Ga2 Y1 117.797(12) 25_465 . ?
Ga2 Ga2 Y1 62.203(12) 25 . ?
Ni2 Ga2 Y1 74.67(7) . 25 ?
Ni2 Ga2 Y1 151.85(10) 25_455 25 ?
Ni2 Ga2 Y1 74.67(7) 1_565 25 ?
Ni2 Ga2 Y1 69.33(10) 25 25 ?
Ga2 Ga2 Y1 62.204(12) 25_565 25 ?
Ga2 Ga2 Y1 117.796(11) 25_455 25 ?
Ga2 Ga2 Y1 117.796(12) 25_465 25 ?
Ga2 Ga2 Y1 62.204(12) 25 25 ?
Y1 Ga2 Y1 124.41(2) . 25 ?
Ni2 Ga2 Y1 74.67(7) . 25_455 ?
Ni2 Ga2 Y1 69.33(10) 25_455 25_455 ?
Ni2 Ga2 Y1 74.67(7) 1_565 25_455 ?
Ni2 Ga2 Y1 151.85(10) 25 25_455 ?
Ga2 Ga2 Y1 117.796(12) 25_565 25_455 ?
Ga2 Ga2 Y1 62.204(12) 25_455 25_455 ?
Ga2 Ga2 Y1 62.204(12) 25_465 25_455 ?
Ga2 Ga2 Y1 117.796(12) 25 25_455 ?
Y1 Ga2 Y1 124.41(2) . 25_455 ?
Y1 Ga2 Y1 82.52(4) 25 25_455 ?
Ni2 Ga2 Y1 151.85(10) . 1_565 ?
Ni2 Ga2 Y1 74.67(7) 25_455 1_565 ?
Ni2 Ga2 Y1 69.33(10) 1_565 1_565 ?
Ni2 Ga2 Y1 74.67(7) 25 1_565 ?
Ga2 Ga2 Y1 62.204(12) 25_565 1_565 ?
Ga2 Ga2 Y1 117.796(12) 25_455 1_565 ?
Ga2 Ga2 Y1 62.204(12) 25_465 1_565 ?
Ga2 Ga2 Y1 117.796(12) 25 1_565 ?
Y1 Ga2 Y1 82.52(4) . 1_565 ?
Y1 Ga2 Y1 124.41(2) 25 1_565 ?
Y1 Ga2 Y1 124.41(2) 25_455 1_565 ?
Ni1 Ga1 Ni1 115.87(5) . 1_565 ?
Ni1 Ga1 Ge2 108.46(4) . 25 ?
Ni1 Ga1 Ge2 108.46(4) 1_565 25 ?
Ni1 Ga1 Ge2 108.46(4) . 25_455 ?
Ni1 Ga1 Ge2 108.46(4) 1_565 25_455 ?
Ge2 Ga1 Ge2 106.78(17) 25 25_455 ?
Ni1 Ga1 Ga1 57.94(3) . 17_565 ?
Ni1 Ga1 Ga1 57.94(3) 1_565 17_565 ?
Ge2 Ga1 Ga1 126.61(9) 25 17_565 ?
Ge2 Ga1 Ga1 126.61(9) 25_455 17_565 ?
Ni1 Ga1 Ga1 53.185(13) . 3 ?
Ni1 Ga1 Ga1 126.816(13) 1_565 3 ?
Ge2 Ga1 Ga1 124.58(4) 25 3 ?
Ge2 Ga1 Ga1 55.41(4) 25_455 3 ?
Ga1 Ga1 Ga1 90.0 17_565 3 ?
Ni1 Ga1 Ga1 126.816(13) . 3_665 ?
Ni1 Ga1 Ga1 53.185(13) 1_565 3_665 ?
Ge2 Ga1 Ga1 55.41(4) 25 3_665 ?
Ge2 Ga1 Ga1 124.58(4) 25_455 3_665 ?
Ga1 Ga1 Ga1 90.0 17_565 3_665 ?
Ga1 Ga1 Ga1 180.0 3 3_665 ?
Ni1 Ga1 Ga1 53.185(13) . 3_655 ?
Ni1 Ga1 Ga1 126.816(13) 1_565 3_655 ?
Ge2 Ga1 Ga1 55.41(4) 25 3_655 ?
Ge2 Ga1 Ga1 124.58(4) 25_455 3_655 ?
Ga1 Ga1 Ga1 90.0 17_565 3_655 ?
Ga1 Ga1 Ga1 90.0 3 3_655 ?
Ga1 Ga1 Ga1 90.0 3_665 3_655 ?
Ni1 Ga1 Ga1 126.816(13) . 3_565 ?
Ni1 Ga1 Ga1 53.185(13) 1_565 3_565 ?
Ge2 Ga1 Ga1 124.58(4) 25 3_565 ?
Ge2 Ga1 Ga1 55.41(4) 25_455 3_565 ?
Ga1 Ga1 Ga1 90.0 17_565 3_565 ?
Ga1 Ga1 Ga1 90.0 3 3_565 ?
Ga1 Ga1 Ga1 90.0 3_665 3_565 ?
Ga1 Ga1 Ga1 180.0 3_655 3_565 ?
Ni1 Ga1 Y1 165.04(4) . 1_565 ?
Ni1 Ga1 Y1 79.09(3) 1_565 1_565 ?
Ge2 Ga1 Y1 64.13(6) 25 1_565 ?
Ge2 Ga1 Y1 64.13(6) 25_455 1_565 ?
Ga1 Ga1 Y1 137.03(3) 17_565 1_565 ?
Ga1 Ga1 Y1 118.815(15) 3 1_565 ?
Ga1 Ga1 Y1 61.183(15) 3_665 1_565 ?
Ga1 Ga1 Y1 118.815(15) 3_655 1_565 ?
Ga1 Ga1 Y1 61.183(15) 3_565 1_565 ?
Ni1 Ga1 Y1 79.09(3) . . ?
Ni1 Ga1 Y1 165.04(4) 1_565 . ?
Ge2 Ga1 Y1 64.13(6) 25 . ?
Ge2 Ga1 Y1 64.13(6) 25_455 . ?
Ga1 Ga1 Y1 137.03(3) 17_565 . ?
Ga1 Ga1 Y1 61.183(15) 3 . ?
Ga1 Ga1 Y1 118.815(15) 3_665 . ?
Ga1 Ga1 Y1 61.183(15) 3_655 . ?
Ga1 Ga1 Y1 118.815(15) 3_565 . ?
Y1 Ga1 Y1 85.95(5) 1_565 . ?
Ge2 Ge1 Ni2 180.000(1) . . ?
Ge2 Ge1 Y1 90.87(10) . 25 ?
Ni2 Ge1 Y1 89.13(10) . 25 ?
Ge2 Ge1 Y1 90.87(10) . 25_445 ?
Ni2 Ge1 Y1 89.13(10) . 25_445 ?
Y1 Ge1 Y1 178.25(19) 25 25_445 ?
Ge2 Ge1 Y1 90.87(10) . 25_545 ?
Ni2 Ge1 Y1 89.13(10) . 25_545 ?
Y1 Ge1 Y1 89.987(3) 25 25_545 ?
Y1 Ge1 Y1 89.987(3) 25_445 25_545 ?
Ge2 Ge1 Y1 90.87(10) . 25_455 ?
Ni2 Ge1 Y1 89.13(10) . 25_455 ?
Y1 Ge1 Y1 89.987(3) 25 25_455 ?
Y1 Ge1 Y1 89.987(3) 25_445 25_455 ?
Y1 Ge1 Y1 178.25(19) 25_545 25_455 ?
Ge1 Ni2 Ga2 110.59(10) . 25_455 ?
Ge1 Ni2 Ga2 110.59(10) . 1_545 ?
Ga2 Ni2 Ga2 82.90(7) 25_455 1_545 ?
Ge1 Ni2 Ga2 110.59(10) . 25 ?
Ga2 Ni2 Ga2 138.8(2) 25_455 25 ?
Ga2 Ni2 Ga2 82.90(7) 1_545 25 ?
Ge1 Ni2 Ga2 110.59(10) . . ?
Ga2 Ni2 Ga2 82.90(7) 25_455 . ?
Ga2 Ni2 Ga2 138.8(2) 1_545 . ?
Ga2 Ni2 Ga2 82.90(7) 25 . ?
Ge1 Ni2 Ge2 0.0 . . ?
Ga2 Ni2 Ge2 110.59(10) 25_455 . ?
Ga2 Ni2 Ge2 110.59(10) 1_545 . ?
Ga2 Ni2 Ge2 110.59(10) 25 . ?
Ga2 Ni2 Ge2 110.59(10) . . ?
Ge1 Ni2 Y1 180.0 . . ?
Ga2 Ni2 Y1 69.41(10) 25_455 . ?
Ga2 Ni2 Y1 69.41(10) 1_545 . ?
Ga2 Ni2 Y1 69.41(10) 25 . ?
Ga2 Ni2 Y1 69.41(10) . . ?
Ge2 Ni2 Y1 180.0 . . ?
Ge1 Ni2 Y1 61.61(7) . 25 ?
Ga2 Ni2 Y1 138.55(3) 25_455 25 ?
Ga2 Ni2 Y1 138.55(3) 1_545 25 ?
Ga2 Ni2 Y1 65.47(3) 25 25 ?
Ga2 Ni2 Y1 65.47(3) . 25 ?
Ge2 Ni2 Y1 61.61(7) . 25 ?
Y1 Ni2 Y1 118.39(7) . 25 ?
Ge1 Ni2 Y1 61.61(7) . 25_445 ?
Ga2 Ni2 Y1 65.47(3) 25_455 25_445 ?
Ga2 Ni2 Y1 65.47(3) 1_545 25_445 ?
Ga2 Ni2 Y1 138.55(3) 25 25_445 ?
Ga2 Ni2 Y1 138.55(3) . 25_445 ?
Ge2 Ni2 Y1 61.61(7) . 25_445 ?
Y1 Ni2 Y1 118.39(7) . 25_445 ?
Y1 Ni2 Y1 123.23(14) 25 25_445 ?
Ge1 Ni2 Y1 61.61(7) . 25_545 ?
Ga2 Ni2 Y1 138.55(3) 25_455 25_545 ?
Ga2 Ni2 Y1 65.47(3) 1_545 25_545 ?
Ga2 Ni2 Y1 65.47(3) 25 25_545 ?
Ga2 Ni2 Y1 138.55(3) . 25_545 ?
Ge2 Ni2 Y1 61.61(7) . 25_545 ?
Y1 Ni2 Y1 118.39(7) . 25_545 ?
Y1 Ni2 Y1 76.94(6) 25 25_545 ?
Y1 Ni2 Y1 76.94(6) 25_445 25_545 ?
Ge1 Ni2 Y1 61.61(7) . 25_455 ?
Ga2 Ni2 Y1 65.47(3) 25_455 25_455 ?
Ga2 Ni2 Y1 138.55(3) 1_545 25_455 ?
Ga2 Ni2 Y1 138.55(3) 25 25_455 ?
Ga2 Ni2 Y1 65.47(3) . 25_455 ?
Ge2 Ni2 Y1 61.61(7) . 25_455 ?
Y1 Ni2 Y1 118.39(7) . 25_455 ?
Y1 Ni2 Y1 76.94(6) 25 25_455 ?
Y1 Ni2 Y1 76.94(6) 25_445 25_455 ?
Y1 Ni2 Y1 123.23(14) 25_545 25_455 ?
Ga1 Ni1 Ga1 106.37(3) . 19_455 ?
Ga1 Ni1 Ga1 73.63(3) . 3_655 ?
Ga1 Ni1 Ga1 180.00(5) 19_455 3_655 ?
Ga1 Ni1 Ga1 180.0 . 17 ?
Ga1 Ni1 Ga1 73.63(3) 19_455 17 ?
Ga1 Ni1 Ga1 106.37(3) 3_655 17 ?
Ga1 Ni1 Ga1 106.37(3) . 19 ?
Ga1 Ni1 Ga1 115.87(5) 19_455 19 ?
Ga1 Ni1 Ga1 64.13(5) 3_655 19 ?
Ga1 Ni1 Ga1 73.63(3) 17 19 ?
Ga1 Ni1 Ga1 73.63(3) . 3 ?
Ga1 Ni1 Ga1 64.13(5) 19_455 3 ?
Ga1 Ni1 Ga1 115.87(5) 3_655 3 ?
Ga1 Ni1 Ga1 106.37(3) 17 3 ?
Ga1 Ni1 Ga1 180.00(5) 19 3 ?
Ga1 Ni1 Ga1 64.13(5) . 17_565 ?
Ga1 Ni1 Ga1 73.63(3) 19_455 17_565 ?
Ga1 Ni1 Ga1 106.37(3) 3_655 17_565 ?
Ga1 Ni1 Ga1 115.87(5) 17 17_565 ?
Ga1 Ni1 Ga1 73.63(3) 19 17_565 ?
Ga1 Ni1 Ga1 106.37(3) 3 17_565 ?
Ga1 Ni1 Ga1 115.87(5) . 1_545 ?
Ga1 Ni1 Ga1 106.37(3) 19_455 1_545 ?
Ga1 Ni1 Ga1 73.63(3) 3_655 1_545 ?
Ga1 Ni1 Ga1 64.13(5) 17 1_545 ?
Ga1 Ni1 Ga1 106.37(3) 19 1_545 ?
Ga1 Ni1 Ga1 73.63(3) 3 1_545 ?
Ga1 Ni1 Ga1 180.00(5) 17_565 1_545 ?
Ge1 Ge2 Ni2 0.000(1) . . ?
Ge1 Ge2 Ga1 126.61(9) . 27_455 ?
Ni2 Ge2 Ga1 126.61(9) . 27_455 ?
Ge1 Ge2 Ga1 126.61(9) . 25 ?
Ni2 Ge2 Ga1 126.61(9) . 25 ?
Ga1 Ge2 Ga1 69.17(9) 27_455 25 ?
Ge1 Ge2 Ga1 126.61(9) . 27_445 ?
Ni2 Ge2 Ga1 126.61(9) . 27_445 ?
Ga1 Ge2 Ga1 106.79(17) 27_455 27_445 ?
Ga1 Ge2 Ga1 69.17(9) 25 27_445 ?
Ge1 Ge2 Ga1 126.61(9) . 25_455 ?
Ni2 Ge2 Ga1 126.61(9) . 25_455 ?
Ga1 Ge2 Ga1 69.17(9) 27_455 25_455 ?
Ga1 Ge2 Ga1 106.79(17) 25 25_455 ?
Ga1 Ge2 Ga1 69.17(9) 27_445 25_455 ?
Ge1 Ge2 Y1 76.85(9) . 25_445 ?
Ni2 Ge2 Y1 76.85(9) . 25_445 ?
Ga1 Ge2 Y1 133.51(8) 27_455 25_445 ?
Ga1 Ge2 Y1 133.51(8) 25 25_445 ?
Ga1 Ge2 Y1 65.35(3) 27_445 25_445 ?
Ga1 Ge2 Y1 65.35(3) 25_455 25_445 ?
Ge1 Ge2 Y1 76.85(9) . 25 ?
Ni2 Ge2 Y1 76.85(9) . 25 ?
Ga1 Ge2 Y1 65.35(3) 27_455 25 ?
Ga1 Ge2 Y1 65.35(3) 25 25 ?
Ga1 Ge2 Y1 133.51(8) 27_445 25 ?
Ga1 Ge2 Y1 133.51(8) 25_455 25 ?
Y1 Ge2 Y1 153.69(19) 25_445 25 ?
Ge1 Ge2 Y1 76.85(9) . 25_545 ?
Ni2 Ge2 Y1 76.85(9) . 25_545 ?
Ga1 Ge2 Y1 133.51(8) 27_455 25_545 ?
Ga1 Ge2 Y1 65.35(3) 25 25_545 ?
Ga1 Ge2 Y1 65.35(3) 27_445 25_545 ?
Ga1 Ge2 Y1 133.51(8) 25_455 25_545 ?
Y1 Ge2 Y1 87.03(4) 25_445 25_545 ?
Y1 Ge2 Y1 87.03(4) 25 25_545 ?
Ge1 Ge2 Y1 76.85(9) . 25_455 ?
Ni2 Ge2 Y1 76.85(9) . 25_455 ?
Ga1 Ge2 Y1 65.35(3) 27_455 25_455 ?
Ga1 Ge2 Y1 133.51(8) 25 25_455 ?
Ga1 Ge2 Y1 133.51(8) 27_445 25_455 ?
Ga1 Ge2 Y1 65.35(3) 25_455 25_455 ?
Y1 Ge2 Y1 87.03(4) 25_445 25_455 ?
Y1 Ge2 Y1 87.03(4) 25 25_455 ?
Y1 Ge2 Y1 153.69(19) 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
Y1 Ge1 2.9524(7) 25 ?
Y1 Ge1 2.9524(7) 25_445 ?
Y1 Ge1 2.9524(7) 25_455 ?
Y1 Ge1 2.9524(7) 25_545 ?
Y1 Ge2 3.0316(13) 25_445 ?
Y1 Ge2 3.0316(13) 25 ?
Y1 Ge2 3.0316(13) 25_455 ?
Y1 Ge2 3.0316(13) 25_545 ?
Y1 Ga1 3.0622(14) 1_545 ?
Y1 Ga1 3.0622(14) 3 ?
Y1 Ga1 3.0622(14) 3_655 ?
Y1 Ga1 3.0623(14) . ?
Ga2 Ni2 2.2298(15) . ?
Ga2 Ni2 2.2298(15) 25_455 ?
Ga2 Ni2 2.2298(15) 1_565 ?
Ga2 Ni2 2.2298(15) 25 ?
Ga2 Ga2 2.9520(7) 25_565 ?
Ga2 Ga2 2.9520(7) 25_455 ?
Ga2 Ga2 2.9520(7) 25_465 ?
Ga2 Ga2 2.9520(7) 25 ?
Ga2 Y1 3.1652(12) 25 ?
Ga2 Y1 3.1652(12) 25_455 ?
Ga2 Y1 3.1652(12) 1_565 ?
Ga1 Ni1 2.4631(8) . ?
Ga1 Ni1 2.4631(8) 1_565 ?
Ga1 Ge2 2.600(3) 25 ?
Ga1 Ge2 2.600(3) 25_455 ?
Ga1 Ga1 2.615(3) 17_565 ?
Ga1 Ga1 2.9520(7) 3 ?
Ga1 Ga1 2.9520(7) 3_665 ?
Ga1 Ga1 2.9520(7) 3_655 ?
Ga1 Ga1 2.9520(7) 3_565 ?
Ga1 Y1 3.0623(14) 1_565 ?
Ge1 Ge2 0.645(4) . ?
Ge1 Ni2 1.640(6) . ?
Ge1 Y1 2.9524(7) 25 ?
Ge1 Y1 2.9524(7) 25_445 ?
Ge1 Y1 2.9524(7) 25_545 ?
Ge1 Y1 2.9524(7) 25_455 ?
Ni2 Ga2 2.2298(15) 25_455 ?
Ni2 Ga2 2.2298(15) 1_545 ?
Ni2 Ga2 2.2298(15) 25 ?
Ni2 Ge2 2.285(6) . ?
Ni2 Y1 3.355(2) 25 ?
Ni2 Y1 3.355(2) 25_445 ?
Ni2 Y1 3.355(2) 25_545 ?
Ni2 Y1 3.355(2) 25_455 ?
Ni1 Ga1 2.4632(8) 19_455 ?
Ni1 Ga1 2.4632(8) 3_655 ?
Ni1 Ga1 2.4632(8) 17 ?
Ni1 Ga1 2.4632(8) 19 ?
Ni1 Ga1 2.4632(8) 3 ?
Ni1 Ga1 2.4632(8) 17_565 ?
Ni1 Ga1 2.4632(8) 1_545 ?
Ge2 Ga1 2.600(3) 27_455 ?
Ge2 Ga1 2.600(3) 25 ?
Ge2 Ga1 2.600(3) 27_445 ?
Ge2 Ga1 2.600(3) 25_455 ?
Ge2 Y1 3.0316(13) 25_445 ?
Ge2 Y1 3.0316(13) 25 ?
Ge2 Y1 3.0316(13) 25_545 ?
Ge2 Y1 3.0316(13) 25_455 ?
