#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:53:44 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179216 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/43/4314342.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_4314342
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            'Ga8 Gd3 Ge3 Ni2.79'
_chemical_formula_weight         1411.08
_chemical_name_systematic
;
?
;
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 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            1
_cell_length_a                   4.1809(18)
_cell_length_b                   4.1809(18)
_cell_length_c                   17.035(11)
_cell_measurement_temperature    571(2)
_cell_volume                     297.8(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      571(2)
_diffrn_measured_fraction_theta_full 0.924
_diffrn_measured_fraction_theta_max 0.924
_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  0.0850
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            3830
_diffrn_reflns_theta_full        33.27
_diffrn_reflns_theta_max         33.27
_diffrn_reflns_theta_min         11.02
_exptl_absorpt_coefficient_mu    45.870
_exptl_crystal_density_diffrn    7.869
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             614
_refine_diff_density_max         2.744
_refine_diff_density_min         -4.546
_refine_diff_density_rms         0.512
_refine_ls_extinction_coef       0.070(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     35
_refine_ls_number_reflns         391
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.933
_refine_ls_shift/su_mean         0.036
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0575P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0889
_refine_ls_wR_factor_ref         0.0909
_reflns_number_gt                318
_reflns_number_total             391
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0341892si20030729_022830_1.cif
_cod_data_source_block           4
_cod_database_code               4314342
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, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y, -x, z'
'y, x, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.0000 0.0000 0.0000 0.0093(3) Uani 1 16 d S . .
Gd2 Gd 0.5000 0.5000 0.28622(4) 0.0095(3) Uani 1 8 d S . .
Ge1 Ge 0.5000 0.5000 0.0000 0.099(4) Uani 1 16 d S . .
Ge2 Ge 0.0000 0.0000 0.3318(4) 0.0057(11) Uani 0.59(3) 8 d SP . .
Ge2' Ge 0.0000 0.0000 0.2976(18) 0.026(5) Uani 0.40(4) 8 d SP . .
Ga1 Ga 0.0000 0.5000 0.42328(7) 0.0127(3) Uani 1 4 d S . .
Ga2 Ga 0.0000 0.5000 0.14004(8) 0.0232(4) Uani 1 4 d S . .
Ni1 Ni 0.5000 0.5000 0.5000 0.0100(5) Uani 1 16 d S . .
Ni2 Ni 0.0000 0.0000 0.19592(17) 0.0136(10) Uani 0.714(14) 8 d SP . .
Ni2' Ni 0.5000 0.5000 0.0999(4) 0.010(3) Uani 0.223(14) 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'
Gd Gd -0.1653 3.9035 '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 Gd1 Ge1 180.0 1_445 . ?
Ge1 Gd1 Ge1 90.0 1_445 1_455 ?
Ge1 Gd1 Ge1 90.0 . 1_455 ?
Ge1 Gd1 Ge1 90.0 1_445 1_545 ?
Ge1 Gd1 Ge1 90.0 . 1_545 ?
Ge1 Gd1 Ge1 180.0 1_455 1_545 ?
Ge1 Gd1 Ga2 117.776(16) 1_445 . ?
Ge1 Gd1 Ga2 62.224(16) . . ?
Ge1 Gd1 Ga2 62.224(16) 1_455 . ?
Ge1 Gd1 Ga2 117.776(16) 1_545 . ?
Ge1 Gd1 Ga2 62.225(16) 1_445 11_455 ?
Ge1 Gd1 Ga2 117.775(16) . 11_455 ?
Ge1 Gd1 Ga2 62.225(16) 1_455 11_455 ?
Ge1 Gd1 Ga2 117.775(16) 1_545 11_455 ?
Ga2 Gd1 Ga2 124.45(3) . 11_455 ?
Ge1 Gd1 Ga2 117.775(16) 1_445 3_655 ?
Ge1 Gd1 Ga2 62.225(16) . 3_655 ?
Ge1 Gd1 Ga2 117.775(16) 1_455 3_655 ?
Ge1 Gd1 Ga2 62.225(16) 1_545 3_655 ?
Ga2 Gd1 Ga2 55.55(3) . 3_655 ?
Ga2 Gd1 Ga2 180.00(3) 11_455 3_655 ?
Ge1 Gd1 Ga2 62.225(16) 1_445 9 ?
Ge1 Gd1 Ga2 117.775(16) . 9 ?
Ge1 Gd1 Ga2 117.775(16) 1_455 9 ?
Ge1 Gd1 Ga2 62.225(16) 1_545 9 ?
Ga2 Gd1 Ga2 180.0 . 9 ?
Ga2 Gd1 Ga2 55.55(3) 11_455 9 ?
Ga2 Gd1 Ga2 124.45(3) 3_655 9 ?
Ge1 Gd1 Ga2 117.775(16) 1_445 11 ?
Ge1 Gd1 Ga2 62.225(16) . 11 ?
Ge1 Gd1 Ga2 117.775(16) 1_455 11 ?
Ge1 Gd1 Ga2 62.225(16) 1_545 11 ?
Ga2 Gd1 Ga2 124.45(3) . 11 ?
Ga2 Gd1 Ga2 82.45(5) 11_455 11 ?
Ga2 Gd1 Ga2 97.55(5) 3_655 11 ?
Ga2 Gd1 Ga2 55.55(3) 9 11 ?
Ge1 Gd1 Ga2 62.225(16) 1_445 1_545 ?
Ge1 Gd1 Ga2 117.775(16) . 1_545 ?
Ge1 Gd1 Ga2 117.775(16) 1_455 1_545 ?
Ge1 Gd1 Ga2 62.225(16) 1_545 1_545 ?
Ga2 Gd1 Ga2 82.45(5) . 1_545 ?
Ga2 Gd1 Ga2 124.45(3) 11_455 1_545 ?
Ga2 Gd1 Ga2 55.55(3) 3_655 1_545 ?
Ga2 Gd1 Ga2 97.55(5) 9 1_545 ?
Ga2 Gd1 Ga2 124.45(3) 11 1_545 ?
Ge1 Gd1 Ga2 117.775(16) 1_445 9_565 ?
Ge1 Gd1 Ga2 62.225(16) . 9_565 ?
Ge1 Gd1 Ga2 62.225(16) 1_455 9_565 ?
Ge1 Gd1 Ga2 117.775(16) 1_545 9_565 ?
Ga2 Gd1 Ga2 97.55(5) . 9_565 ?
Ga2 Gd1 Ga2 55.55(3) 11_455 9_565 ?
Ga2 Gd1 Ga2 124.45(3) 3_655 9_565 ?
Ga2 Gd1 Ga2 82.45(5) 9 9_565 ?
Ga2 Gd1 Ga2 55.55(3) 11 9_565 ?
Ga2 Gd1 Ga2 180.00(3) 1_545 9_565 ?
Ge1 Gd1 Ga2 62.225(16) 1_445 3 ?
Ge1 Gd1 Ga2 117.775(16) . 3 ?
Ge1 Gd1 Ga2 62.225(16) 1_455 3 ?
Ge1 Gd1 Ga2 117.775(16) 1_545 3 ?
Ga2 Gd1 Ga2 55.55(3) . 3 ?
Ga2 Gd1 Ga2 97.55(5) 11_455 3 ?
Ga2 Gd1 Ga2 82.45(5) 3_655 3 ?
Ga2 Gd1 Ga2 124.45(3) 9 3 ?
Ga2 Gd1 Ga2 180.00(3) 11 3 ?
Ga2 Gd1 Ga2 55.55(3) 1_545 3 ?
Ga2 Gd1 Ga2 124.45(3) 9_565 3 ?
Ge2' Gd2 Ge2' 89.76(8) 1_665 1_565 ?
Ge2' Gd2 Ge2' 89.76(8) 1_665 1_655 ?
Ge2' Gd2 Ge2' 172.5(12) 1_565 1_655 ?
Ge2' Gd2 Ge2' 172.5(12) 1_665 . ?
Ge2' Gd2 Ge2' 89.76(8) 1_565 . ?
Ge2' Gd2 Ge2' 89.76(8) 1_655 . ?
Ge2' Gd2 Ge2 161.5(7) 1_665 . ?
Ge2' Gd2 Ge2 89.05(16) 1_565 . ?
Ge2' Gd2 Ge2 89.05(16) 1_655 . ?
Ge2' Gd2 Ge2 11.0(5) . . ?
Ge2' Gd2 Ge2 11.0(5) 1_665 1_665 ?
Ge2' Gd2 Ge2 89.05(16) 1_565 1_665 ?
Ge2' Gd2 Ge2 89.05(16) 1_655 1_665 ?
Ge2' Gd2 Ge2 161.5(7) . 1_665 ?
Ge2 Gd2 Ge2 150.6(3) . 1_665 ?
Ge2' Gd2 Ge2 89.05(16) 1_665 1_565 ?
Ge2' Gd2 Ge2 11.0(5) 1_565 1_565 ?
Ge2' Gd2 Ge2 161.5(7) 1_655 1_565 ?
Ge2' Gd2 Ge2 89.05(16) . 1_565 ?
Ge2 Gd2 Ge2 86.31(6) . 1_565 ?
Ge2 Gd2 Ge2 86.30(6) 1_665 1_565 ?
Ge2' Gd2 Ge2 89.05(16) 1_665 1_655 ?
Ge2' Gd2 Ge2 161.5(7) 1_565 1_655 ?
Ge2' Gd2 Ge2 11.0(5) 1_655 1_655 ?
Ge2' Gd2 Ge2 89.05(16) . 1_655 ?
Ge2 Gd2 Ge2 86.31(6) . 1_655 ?
Ge2 Gd2 Ge2 86.30(6) 1_665 1_655 ?
Ge2 Gd2 Ge2 150.6(3) 1_565 1_655 ?
Ge2' Gd2 Ga1 115.0(5) 1_665 . ?
Ge2' Gd2 Ga1 58.7(5) 1_565 . ?
Ge2' Gd2 Ga1 115.0(5) 1_655 . ?
Ge2' Gd2 Ga1 58.7(5) . . ?
Ge2 Gd2 Ga1 49.81(10) . . ?
Ge2 Gd2 Ga1 105.49(12) 1_665 . ?
Ge2 Gd2 Ga1 49.81(10) 1_565 . ?
Ge2 Gd2 Ga1 105.49(12) 1_655 . ?
Ge2' Gd2 Ga1 58.7(5) 1_665 3_665 ?
Ge2' Gd2 Ga1 58.7(5) 1_565 3_665 ?
Ge2' Gd2 Ga1 115.0(5) 1_655 3_665 ?
Ge2' Gd2 Ga1 115.0(5) . 3_665 ?
Ge2 Gd2 Ga1 105.49(12) . 3_665 ?
Ge2 Gd2 Ga1 49.81(10) 1_665 3_665 ?
Ge2 Gd2 Ga1 49.81(10) 1_565 3_665 ?
Ge2 Gd2 Ga1 105.49(12) 1_655 3_665 ?
Ga1 Gd2 Ga1 56.28(3) . 3_665 ?
Ge2' Gd2 Ga1 58.7(5) 1_665 1_655 ?
Ge2' Gd2 Ga1 115.0(5) 1_565 1_655 ?
Ge2' Gd2 Ga1 58.7(5) 1_655 1_655 ?
Ge2' Gd2 Ga1 115.0(5) . 1_655 ?
Ge2 Gd2 Ga1 105.49(12) . 1_655 ?
Ge2 Gd2 Ga1 49.81(10) 1_665 1_655 ?
Ge2 Gd2 Ga1 105.49(12) 1_565 1_655 ?
Ge2 Gd2 Ga1 49.81(10) 1_655 1_655 ?
Ga1 Gd2 Ga1 83.68(5) . 1_655 ?
Ga1 Gd2 Ga1 56.28(3) 3_665 1_655 ?
Ge2' Gd2 Ga1 115.0(5) 1_665 3_655 ?
Ge2' Gd2 Ga1 115.0(5) 1_565 3_655 ?
Ge2' Gd2 Ga1 58.7(5) 1_655 3_655 ?
Ge2' Gd2 Ga1 58.7(5) . 3_655 ?
Ge2 Gd2 Ga1 49.81(10) . 3_655 ?
Ge2 Gd2 Ga1 105.49(12) 1_665 3_655 ?
Ge2 Gd2 Ga1 105.49(12) 1_565 3_655 ?
Ge2 Gd2 Ga1 49.81(10) 1_655 3_655 ?
Ga1 Gd2 Ga1 56.28(3) . 3_655 ?
Ga1 Gd2 Ga1 83.67(5) 3_665 3_655 ?
Ga1 Gd2 Ga1 56.28(3) 1_655 3_655 ?
Ni2' Ge1 Ni2' 180.0 . 9_665 ?
Ni2' Ge1 Gd1 90.0 . . ?
Ni2' Ge1 Gd1 90.0 9_665 . ?
Ni2' Ge1 Gd1 90.0 . 1_665 ?
Ni2' Ge1 Gd1 90.0 9_665 1_665 ?
Gd1 Ge1 Gd1 180.0 . 1_665 ?
Ni2' Ge1 Gd1 90.0 . 1_655 ?
Ni2' Ge1 Gd1 90.0 9_665 1_655 ?
Gd1 Ge1 Gd1 90.0 . 1_655 ?
Gd1 Ge1 Gd1 90.0 1_665 1_655 ?
Ni2' Ge1 Gd1 90.0 . 1_565 ?
Ni2' Ge1 Gd1 90.0 9_665 1_565 ?
Gd1 Ge1 Gd1 90.0 . 1_565 ?
Gd1 Ge1 Gd1 90.0 1_665 1_565 ?
Gd1 Ge1 Gd1 180.0 1_655 1_565 ?
Ge2' Ge2 Ni2 0.000(4) . . ?
Ge2' Ge2 Ga1 126.72(13) . . ?
Ni2 Ge2 Ga1 126.72(13) . . ?
Ge2' Ge2 Ga1 126.72(13) . 3_655 ?
Ni2 Ge2 Ga1 126.72(13) . 3_655 ?
Ga1 Ge2 Ga1 69.06(13) . 3_655 ?
Ge2' Ge2 Ga1 126.72(13) . 3 ?
Ni2 Ge2 Ga1 126.72(13) . 3 ?
Ga1 Ge2 Ga1 69.06(13) . 3 ?
Ga1 Ge2 Ga1 106.6(3) 3_655 3 ?
Ge2' Ge2 Ga1 126.72(13) . 1_545 ?
Ni2 Ge2 Ga1 126.72(13) . 1_545 ?
Ga1 Ge2 Ga1 106.6(3) . 1_545 ?
Ga1 Ge2 Ga1 69.06(13) 3_655 1_545 ?
Ga1 Ge2 Ga1 69.06(13) 3 1_545 ?
Ge2' Ge2 Gd2 75.29(13) . . ?
Ni2 Ge2 Gd2 75.29(13) . . ?
Ga1 Ge2 Gd2 66.64(3) . . ?
Ga1 Ge2 Gd2 66.64(3) 3_655 . ?
Ga1 Ge2 Gd2 134.43(12) 3 . ?
Ga1 Ge2 Gd2 134.43(12) 1_545 . ?
Ge2' Ge2 Gd2 75.29(13) . 1_445 ?
Ni2 Ge2 Gd2 75.29(13) . 1_445 ?
Ga1 Ge2 Gd2 134.43(12) . 1_445 ?
Ga1 Ge2 Gd2 134.43(12) 3_655 1_445 ?
Ga1 Ge2 Gd2 66.64(3) 3 1_445 ?
Ga1 Ge2 Gd2 66.64(3) 1_545 1_445 ?
Gd2 Ge2 Gd2 150.6(3) . 1_445 ?
Ge2' Ge2 Gd2 75.29(13) . 1_455 ?
Ni2 Ge2 Gd2 75.29(13) . 1_455 ?
Ga1 Ge2 Gd2 66.64(3) . 1_455 ?
Ga1 Ge2 Gd2 134.43(12) 3_655 1_455 ?
Ga1 Ge2 Gd2 66.64(3) 3 1_455 ?
Ga1 Ge2 Gd2 134.43(12) 1_545 1_455 ?
Gd2 Ge2 Gd2 86.31(6) . 1_455 ?
Gd2 Ge2 Gd2 86.31(6) 1_445 1_455 ?
Ge2' Ge2 Gd2 75.29(13) . 1_545 ?
Ni2 Ge2 Gd2 75.29(13) . 1_545 ?
Ga1 Ge2 Gd2 134.43(12) . 1_545 ?
Ga1 Ge2 Gd2 66.64(3) 3_655 1_545 ?
Ga1 Ge2 Gd2 134.43(12) 3 1_545 ?
Ga1 Ge2 Gd2 66.64(3) 1_545 1_545 ?
Gd2 Ge2 Gd2 86.31(6) . 1_545 ?
Gd2 Ge2 Gd2 86.31(6) 1_445 1_545 ?
Gd2 Ge2 Gd2 150.6(3) 1_455 1_545 ?
Ge2 Ge2' Ni2 180.000(1) . . ?
Ge2 Ge2' Gd2 93.7(6) . . ?
Ni2 Ge2' Gd2 86.3(6) . . ?
Ge2 Ge2' Gd2 93.7(6) . 1_445 ?
Ni2 Ge2' Gd2 86.3(6) . 1_445 ?
Gd2 Ge2' Gd2 172.5(12) . 1_445 ?
Ge2 Ge2' Gd2 93.7(6) . 1_455 ?
Ni2 Ge2' Gd2 86.3(6) . 1_455 ?
Gd2 Ge2' Gd2 89.76(8) . 1_455 ?
Gd2 Ge2' Gd2 89.75(8) 1_445 1_455 ?
Ge2 Ge2' Gd2 93.7(6) . 1_545 ?
Ni2 Ge2' Gd2 86.3(6) . 1_545 ?
Gd2 Ge2' Gd2 89.76(8) . 1_545 ?
Gd2 Ge2' Gd2 89.75(8) 1_445 1_545 ?
Gd2 Ge2' Gd2 172.5(12) 1_455 1_545 ?
Ni1 Ga1 Ni1 115.97(6) . 1_455 ?
Ni1 Ga1 Ga1 57.99(3) . 9_566 ?
Ni1 Ga1 Ga1 57.99(3) 1_455 9_566 ?
Ni1 Ga1 Ge2 108.48(6) . 1_565 ?
Ni1 Ga1 Ge2 108.48(6) 1_455 1_565 ?
Ga1 Ga1 Ge2 126.71(13) 9_566 1_565 ?
Ni1 Ga1 Ge2 108.48(6) . . ?
Ni1 Ga1 Ge2 108.48(6) 1_455 . ?
Ga1 Ga1 Ge2 126.72(13) 9_566 . ?
Ge2 Ga1 Ge2 106.6(3) 1_565 . ?
Ni1 Ga1 Ga1 53.160(14) . 3_665 ?
Ni1 Ga1 Ga1 126.839(14) 1_455 3_665 ?
Ga1 Ga1 Ga1 90.0 9_566 3_665 ?
Ge2 Ga1 Ga1 55.47(7) 1_565 3_665 ?
Ge2 Ga1 Ga1 124.53(7) . 3_665 ?
Ni1 Ga1 Ga1 126.839(14) . 3 ?
Ni1 Ga1 Ga1 53.160(14) 1_455 3 ?
Ga1 Ga1 Ga1 90.0 9_566 3 ?
Ge2 Ga1 Ga1 124.53(7) 1_565 3 ?
Ge2 Ga1 Ga1 55.47(7) . 3 ?
Ga1 Ga1 Ga1 180.0 3_665 3 ?
Ni1 Ga1 Ga1 126.839(14) . 3_565 ?
Ni1 Ga1 Ga1 53.160(14) 1_455 3_565 ?
Ga1 Ga1 Ga1 89.999(1) 9_566 3_565 ?
Ge2 Ga1 Ga1 55.47(7) 1_565 3_565 ?
Ge2 Ga1 Ga1 124.53(7) . 3_565 ?
Ga1 Ga1 Ga1 90.0 3_665 3_565 ?
Ga1 Ga1 Ga1 90.0 3 3_565 ?
Ni1 Ga1 Ga1 53.160(14) . 3_655 ?
Ni1 Ga1 Ga1 126.839(14) 1_455 3_655 ?
Ga1 Ga1 Ga1 89.999(1) 9_566 3_655 ?
Ge2 Ga1 Ga1 124.53(7) 1_565 3_655 ?
Ge2 Ga1 Ga1 55.47(7) . 3_655 ?
Ga1 Ga1 Ga1 90.0 3_665 3_655 ?
Ga1 Ga1 Ga1 90.0 3 3_655 ?
Ga1 Ga1 Ga1 180.0 3_565 3_655 ?
Ni1 Ga1 Gd2 80.17(4) . . ?
Ni1 Ga1 Gd2 163.85(4) 1_455 . ?
Ga1 Ga1 Gd2 138.16(3) 9_566 . ?
Ge2 Ga1 Gd2 63.55(9) 1_565 . ?
Ge2 Ga1 Gd2 63.55(9) . . ?
Ga1 Ga1 Gd2 61.859(16) 3_665 . ?
Ga1 Ga1 Gd2 118.143(16) 3 . ?
Ga1 Ga1 Gd2 118.143(16) 3_565 . ?
Ga1 Ga1 Gd2 61.859(16) 3_655 . ?
Ni1 Ga1 Gd2 163.85(4) . 1_455 ?
Ni1 Ga1 Gd2 80.18(4) 1_455 1_455 ?
Ga1 Ga1 Gd2 138.16(3) 9_566 1_455 ?
Ge2 Ga1 Gd2 63.55(9) 1_565 1_455 ?
Ge2 Ga1 Gd2 63.55(9) . 1_455 ?
Ga1 Ga1 Gd2 118.143(15) 3_665 1_455 ?
Ga1 Ga1 Gd2 61.859(16) 3 1_455 ?
Ga1 Ga1 Gd2 61.859(16) 3_565 1_455 ?
Ga1 Ga1 Gd2 118.143(16) 3_655 1_455 ?
Gd2 Ga1 Gd2 83.68(5) . 1_455 ?
Ni2' Ga2 Ni2' 143.8(4) 1_455 . ?
Ni2' Ga2 Ni2 97.40(8) 1_455 . ?
Ni2' Ga2 Ni2 97.40(8) . . ?
Ni2' Ga2 Ni2 97.40(8) 1_455 1_565 ?
Ni2' Ga2 Ni2 97.40(8) . 1_565 ?
Ni2 Ga2 Ni2 131.04(14) . 1_565 ?
Ni2' Ga2 Ga2 132.23(5) 1_455 3_665 ?
Ni2' Ga2 Ga2 47.77(5) . 3_665 ?
Ni2 Ga2 Ga2 130.06(3) . 3_665 ?
Ni2 Ga2 Ga2 49.94(3) 1_565 3_665 ?
Ni2' Ga2 Ga2 47.77(5) 1_455 3 ?
Ni2' Ga2 Ga2 132.23(5) . 3 ?
Ni2 Ga2 Ga2 49.94(3) . 3 ?
Ni2 Ga2 Ga2 130.06(3) 1_565 3 ?
Ga2 Ga2 Ga2 179.999(1) 3_665 3 ?
Ni2' Ga2 Ga2 47.77(5) 1_455 3_565 ?
Ni2' Ga2 Ga2 132.23(5) . 3_565 ?
Ni2 Ga2 Ga2 130.06(3) . 3_565 ?
Ni2 Ga2 Ga2 49.94(3) 1_565 3_565 ?
Ga2 Ga2 Ga2 90.0 3_665 3_565 ?
Ga2 Ga2 Ga2 90.0 3 3_565 ?
Ni2' Ga2 Ga2 132.23(5) 1_455 3_655 ?
Ni2' Ga2 Ga2 47.77(5) . 3_655 ?
Ni2 Ga2 Ga2 49.94(3) . 3_655 ?
Ni2 Ga2 Ga2 130.06(3) 1_565 3_655 ?
Ga2 Ga2 Ga2 90.0 3_665 3_655 ?
Ga2 Ga2 Ga2 90.0 3 3_655 ?
Ga2 Ga2 Ga2 179.999(1) 3_565 3_655 ?
Ni2' Ga2 Gd1 76.48(14) 1_455 . ?
Ni2' Ga2 Gd1 76.48(13) . . ?
Ni2 Ga2 Gd1 73.26(8) . . ?
Ni2 Ga2 Gd1 155.71(8) 1_565 . ?
Ga2 Ga2 Gd1 117.776(17) 3_665 . ?
Ga2 Ga2 Gd1 62.225(16) 3 . ?
Ga2 Ga2 Gd1 117.776(16) 3_565 . ?
Ga2 Ga2 Gd1 62.225(16) 3_655 . ?
Ni2' Ga2 Gd1 76.48(13) 1_455 1_565 ?
Ni2' Ga2 Gd1 76.48(13) . 1_565 ?
Ni2 Ga2 Gd1 155.71(8) . 1_565 ?
Ni2 Ga2 Gd1 73.26(8) 1_565 1_565 ?
Ga2 Ga2 Gd1 62.225(16) 3_665 1_565 ?
Ga2 Ga2 Gd1 117.776(16) 3 1_565 ?
Ga2 Ga2 Gd1 62.225(16) 3_565 1_565 ?
Ga2 Ga2 Gd1 117.776(16) 3_655 1_565 ?
Gd1 Ga2 Gd1 82.45(5) . 1_565 ?
Ni2' Ga2 Gd2 68.09(18) 1_455 1_455 ?
Ni2' Ga2 Gd2 148.12(19) . 1_455 ?
Ni2 Ga2 Gd2 71.49(6) . 1_455 ?
Ni2 Ga2 Gd2 71.49(6) 1_565 1_455 ?
Ga2 Ga2 Gd2 117.041(17) 3_665 1_455 ?
Ga2 Ga2 Gd2 62.958(16) 3 1_455 ?
Ga2 Ga2 Gd2 62.958(16) 3_565 1_455 ?
Ga2 Ga2 Gd2 117.041(16) 3_655 1_455 ?
Gd1 Ga2 Gd2 125.17(3) . 1_455 ?
Gd1 Ga2 Gd2 125.17(3) 1_565 1_455 ?
Ni2' Ga2 Gd2 148.12(19) 1_455 . ?
Ni2' Ga2 Gd2 68.09(18) . . ?
Ni2 Ga2 Gd2 71.49(6) . . ?
Ni2 Ga2 Gd2 71.49(6) 1_565 . ?
Ga2 Ga2 Gd2 62.958(17) 3_665 . ?
Ga2 Ga2 Gd2 117.041(17) 3 . ?
Ga2 Ga2 Gd2 117.041(16) 3_565 . ?
Ga2 Ga2 Gd2 62.958(17) 3_655 . ?
Gd1 Ga2 Gd2 125.17(3) . . ?
Gd1 Ga2 Gd2 125.17(3) 1_565 . ?
Gd2 Ga2 Gd2 80.03(5) 1_455 . ?
Ga1 Ni1 Ga1 180.0 11_566 3_655 ?
Ga1 Ni1 Ga1 73.68(3) 11_566 9_666 ?
Ga1 Ni1 Ga1 106.32(3) 3_655 9_666 ?
Ga1 Ni1 Ga1 115.98(6) 11_566 11_556 ?
Ga1 Ni1 Ga1 64.02(6) 3_655 11_556 ?
Ga1 Ni1 Ga1 73.68(3) 9_666 11_556 ?
Ga1 Ni1 Ga1 73.68(3) 11_566 9_566 ?
Ga1 Ni1 Ga1 106.32(3) 3_655 9_566 ?
Ga1 Ni1 Ga1 115.98(6) 9_666 9_566 ?
Ga1 Ni1 Ga1 73.68(3) 11_556 9_566 ?
Ga1 Ni1 Ga1 106.32(3) 11_566 1_655 ?
Ga1 Ni1 Ga1 73.68(3) 3_655 1_655 ?
Ga1 Ni1 Ga1 64.02(6) 9_666 1_655 ?
Ga1 Ni1 Ga1 106.32(3) 11_556 1_655 ?
Ga1 Ni1 Ga1 180.0 9_566 1_655 ?
Ga1 Ni1 Ga1 64.02(6) 11_566 3_665 ?
Ga1 Ni1 Ga1 115.98(6) 3_655 3_665 ?
Ga1 Ni1 Ga1 106.32(3) 9_666 3_665 ?
Ga1 Ni1 Ga1 180.0 11_556 3_665 ?
Ga1 Ni1 Ga1 106.32(3) 9_566 3_665 ?
Ga1 Ni1 Ga1 73.68(3) 1_655 3_665 ?
Ga1 Ni1 Ga1 106.32(3) 11_566 . ?
Ga1 Ni1 Ga1 73.68(3) 3_655 . ?
Ga1 Ni1 Ga1 180.0 9_666 . ?
Ga1 Ni1 Ga1 106.32(3) 11_556 . ?
Ga1 Ni1 Ga1 64.02(6) 9_566 . ?
Ga1 Ni1 Ga1 115.98(6) 1_655 . ?
Ga1 Ni1 Ga1 73.68(3) 3_665 . ?
Ge2' Ni2 Ga2 114.48(7) . 3 ?
Ge2' Ni2 Ga2 114.48(7) . 1_545 ?
Ga2 Ni2 Ga2 80.11(6) 3 1_545 ?
Ge2' Ni2 Ga2 114.48(7) . 3_655 ?
Ga2 Ni2 Ga2 131.04(14) 3 3_655 ?
Ga2 Ni2 Ga2 80.11(6) 1_545 3_655 ?
Ge2' Ni2 Ga2 114.48(7) . . ?
Ga2 Ni2 Ga2 80.11(6) 3 . ?
Ga2 Ni2 Ga2 131.04(14) 1_545 . ?
Ga2 Ni2 Ga2 80.11(6) 3_655 . ?
Ge2' Ni2 Ge2 0.000(1) . . ?
Ga2 Ni2 Ge2 114.48(7) 3 . ?
Ga2 Ni2 Ge2 114.48(7) 1_545 . ?
Ga2 Ni2 Ge2 114.48(7) 3_655 . ?
Ga2 Ni2 Ge2 114.48(7) . . ?
Ge2' Ni2 Gd2 62.51(5) . 1_445 ?
Ga2 Ni2 Gd2 67.69(4) 3 1_445 ?
Ga2 Ni2 Gd2 67.69(4) 1_545 1_445 ?
Ga2 Ni2 Gd2 139.655(15) 3_655 1_445 ?
Ga2 Ni2 Gd2 139.655(15) . 1_445 ?
Ge2 Ni2 Gd2 62.51(5) . 1_445 ?
Ge2' Ni2 Gd2 62.51(5) . 1_545 ?
Ga2 Ni2 Gd2 139.655(15) 3 1_545 ?
Ga2 Ni2 Gd2 67.69(4) 1_545 1_545 ?
Ga2 Ni2 Gd2 67.69(4) 3_655 1_545 ?
Ga2 Ni2 Gd2 139.655(15) . 1_545 ?
Ge2 Ni2 Gd2 62.51(5) . 1_545 ?
Gd2 Ni2 Gd2 77.70(4) 1_445 1_545 ?
Ge2' Ni2 Gd2 62.51(5) . 1_455 ?
Ga2 Ni2 Gd2 67.69(4) 3 1_455 ?
Ga2 Ni2 Gd2 139.655(15) 1_545 1_455 ?
Ga2 Ni2 Gd2 139.655(15) 3_655 1_455 ?
Ga2 Ni2 Gd2 67.69(4) . 1_455 ?
Ge2 Ni2 Gd2 62.51(5) . 1_455 ?
Gd2 Ni2 Gd2 77.70(4) 1_445 1_455 ?
Gd2 Ni2 Gd2 125.02(10) 1_545 1_455 ?
Ge2' Ni2 Gd2 62.51(5) . . ?
Ga2 Ni2 Gd2 139.655(15) 3 . ?
Ga2 Ni2 Gd2 139.655(15) 1_545 . ?
Ga2 Ni2 Gd2 67.69(4) 3_655 . ?
Ga2 Ni2 Gd2 67.69(4) . . ?
Ge2 Ni2 Gd2 62.51(5) . . ?
Gd2 Ni2 Gd2 125.02(10) 1_445 . ?
Gd2 Ni2 Gd2 77.70(4) 1_545 . ?
Gd2 Ni2 Gd2 77.70(4) 1_455 . ?
Ge2' Ni2 Gd1 180.000(1) . . ?
Ga2 Ni2 Gd1 65.52(7) 3 . ?
Ga2 Ni2 Gd1 65.52(7) 1_545 . ?
Ga2 Ni2 Gd1 65.52(7) 3_655 . ?
Ga2 Ni2 Gd1 65.52(7) . . ?
Ge2 Ni2 Gd1 180.0 . . ?
Gd2 Ni2 Gd1 117.49(5) 1_445 . ?
Gd2 Ni2 Gd1 117.49(5) 1_545 . ?
Gd2 Ni2 Gd1 117.49(5) 1_455 . ?
Gd2 Ni2 Gd1 117.49(5) . . ?
Ge1 Ni2' Ga2 108.11(18) . . ?
Ge1 Ni2' Ga2 108.11(18) . 3_665 ?
Ga2 Ni2' Ga2 84.46(11) . 3_665 ?
Ge1 Ni2' Ga2 108.11(18) . 1_655 ?
Ga2 Ni2' Ga2 143.8(4) . 1_655 ?
Ga2 Ni2' Ga2 84.46(11) 3_665 1_655 ?
Ge1 Ni2' Ga2 108.11(18) . 3_655 ?
Ga2 Ni2' Ga2 84.46(11) . 3_655 ?
Ga2 Ni2' Ga2 143.8(4) 3_665 3_655 ?
Ga2 Ni2' Ga2 84.46(11) 1_655 3_655 ?
Ge1 Ni2' Gd2 180.0 . . ?
Ga2 Ni2' Gd2 71.89(18) . . ?
Ga2 Ni2' Gd2 71.89(18) 3_665 . ?
Ga2 Ni2' Gd2 71.89(18) 1_655 . ?
Ga2 Ni2' Gd2 71.89(18) 3_655 . ?
Ge1 Ni2' Gd1 60.07(11) . . ?
Ga2 Ni2' Gd1 64.70(7) . . ?
Ga2 Ni2' Gd1 137.52(9) 3_665 . ?
Ga2 Ni2' Gd1 137.52(9) 1_655 . ?
Ga2 Ni2' Gd1 64.70(7) 3_655 . ?
Gd2 Ni2' Gd1 119.93(11) . . ?
Ge1 Ni2' Gd1 60.07(11) . 1_665 ?
Ga2 Ni2' Gd1 137.52(9) . 1_665 ?
Ga2 Ni2' Gd1 64.70(7) 3_665 1_665 ?
Ga2 Ni2' Gd1 64.70(7) 1_655 1_665 ?
Ga2 Ni2' Gd1 137.52(9) 3_655 1_665 ?
Gd2 Ni2' Gd1 119.93(11) . 1_665 ?
Gd1 Ni2' Gd1 120.1(2) . 1_665 ?
Ge1 Ni2' Gd1 60.07(11) . 1_565 ?
Ga2 Ni2' Gd1 64.70(7) . 1_565 ?
Ga2 Ni2' Gd1 64.70(7) 3_665 1_565 ?
Ga2 Ni2' Gd1 137.52(9) 1_655 1_565 ?
Ga2 Ni2' Gd1 137.52(9) 3_655 1_565 ?
Gd2 Ni2' Gd1 119.93(11) . 1_565 ?
Gd1 Ni2' Gd1 75.58(9) . 1_565 ?
Gd1 Ni2' Gd1 75.58(9) 1_665 1_565 ?
Ge1 Ni2' Gd1 60.07(11) . 1_655 ?
Ga2 Ni2' Gd1 137.52(9) . 1_655 ?
Ga2 Ni2' Gd1 137.52(9) 3_665 1_655 ?
Ga2 Ni2' Gd1 64.70(7) 1_655 1_655 ?
Ga2 Ni2' Gd1 64.70(7) 3_655 1_655 ?
Gd2 Ni2' Gd1 119.93(11) . 1_655 ?
Gd1 Ni2' Gd1 75.58(9) . 1_655 ?
Gd1 Ni2' Gd1 75.58(9) 1_665 1_655 ?
Gd1 Ni2' Gd1 120.1(2) 1_565 1_655 ?
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
Gd1 Ge1 2.9563(13) 1_445 ?
Gd1 Ge1 2.9563(13) . ?
Gd1 Ge1 2.9563(13) 1_455 ?
Gd1 Ge1 2.9563(13) 1_545 ?
Gd1 Ga2 3.1720(16) . ?
Gd1 Ga2 3.1720(16) 11_455 ?
Gd1 Ga2 3.1720(16) 3_655 ?
Gd1 Ga2 3.1720(16) 9 ?
Gd1 Ga2 3.1720(16) 11 ?
Gd1 Ga2 3.1720(16) 1_545 ?
Gd1 Ga2 3.1720(16) 9_565 ?
Gd1 Ga2 3.1720(16) 3 ?
Gd2 Ge2' 2.963(2) 1_665 ?
Gd2 Ge2' 2.963(2) 1_565 ?
Gd2 Ge2' 2.963(2) 1_655 ?
Gd2 Ge2' 2.963(2) . ?
Gd2 Ge2 3.056(2) . ?
Gd2 Ge2 3.056(2) 1_665 ?
Gd2 Ge2 3.056(2) 1_565 ?
Gd2 Ge2 3.056(2) 1_655 ?
Gd2 Ga1 3.1340(16) . ?
Gd2 Ga1 3.1340(16) 3_665 ?
Gd2 Ga1 3.1340(16) 1_655 ?
Gd2 Ga1 3.1340(16) 3_655 ?
Ge1 Ni2' 1.702(7) . ?
Ge1 Ni2' 1.702(7) 9_665 ?
Ge1 Gd1 2.9563(13) 1_665 ?
Ge1 Gd1 2.9563(13) 1_655 ?
Ge1 Gd1 2.9563(13) 1_565 ?
Ge2 Ge2' 0.58(2) . ?
Ge2 Ni2 2.314(8) . ?
Ge2 Ga1 2.608(4) . ?
Ge2 Ga1 2.608(4) 3_655 ?
Ge2 Ga1 2.608(4) 3 ?
Ge2 Ga1 2.608(4) 1_545 ?
Ge2 Gd2 3.056(2) 1_445 ?
Ge2 Gd2 3.056(2) 1_455 ?
Ge2 Gd2 3.056(2) 1_545 ?
Ge2' Ni2 1.73(3) . ?
Ge2' Gd2 2.963(2) 1_445 ?
Ge2' Gd2 2.963(2) 1_455 ?
Ge2' Gd2 2.963(2) 1_545 ?
Ga1 Ni1 2.4654(11) . ?
Ga1 Ni1 2.4654(11) 1_455 ?
Ga1 Ga1 2.614(3) 9_566 ?
Ga1 Ge2 2.608(4) 1_565 ?
Ga1 Ga1 2.9563(13) 3_665 ?
Ga1 Ga1 2.9563(13) 3 ?
Ga1 Ga1 2.9563(13) 3_565 ?
Ga1 Ga1 2.9563(13) 3_655 ?
Ga1 Gd2 3.1340(15) 1_455 ?
Ga2 Ni2' 2.199(2) 1_455 ?
Ga2 Ni2' 2.199(2) . ?
Ga2 Ni2 2.2970(15) . ?
Ga2 Ni2 2.2970(15) 1_565 ?
Ga2 Ga2 2.9563(13) 3_665 ?
Ga2 Ga2 2.9563(13) 3 ?
Ga2 Ga2 2.9563(13) 3_565 ?
Ga2 Ga2 2.9563(13) 3_655 ?
Ga2 Gd1 3.1720(16) 1_565 ?
Ga2 Gd2 3.2513(17) 1_455 ?
Ni1 Ga1 2.4653(11) 11_566 ?
Ni1 Ga1 2.4653(11) 3_655 ?
Ni1 Ga1 2.4653(11) 9_666 ?
Ni1 Ga1 2.4653(11) 11_556 ?
Ni1 Ga1 2.4653(11) 9_566 ?
Ni1 Ga1 2.4653(11) 1_655 ?
Ni1 Ga1 2.4653(11) 3_665 ?
Ni2 Ga2 2.2970(15) 3 ?
Ni2 Ga2 2.2970(15) 1_545 ?
Ni2 Ga2 2.2970(15) 3_655 ?
Ni2 Gd2 3.3326(18) 1_445 ?
Ni2 Gd2 3.3326(18) 1_545 ?
Ni2 Gd2 3.3326(18) 1_455 ?
Ni2' Ga2 2.199(2) 3_665 ?
Ni2' Ga2 2.199(2) 1_655 ?
Ni2' Ga2 2.199(2) 3_655 ?
Ni2' Gd1 3.411(4) 1_665 ?
Ni2' Gd1 3.411(4) 1_565 ?
Ni2' Gd1 3.411(4) 1_655 ?
