The compound described by Ni4Ge crystallizes in the trigonal R-3m space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ni(2), six equivalent Ni(1), and three equivalent Ge(1) atoms to form distorted NiNi9Ge3 cuboctahedra that share corners with three equivalent Ni(2)Ni12 cuboctahedra; corners with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with six equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine Ni(2,2)Ni12 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; faces with six equivalent Ni(2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with six equivalent Ge(1)Ni6Ge6 cuboctahedra. In the second Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. In the third Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. In the fourth Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. In the fifth Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. Ge(1) is bonded to six equivalent Ni(1) and six equivalent Ge(1) atoms to form distorted GeNi6Ge6 cuboctahedra that share corners with six Ni(2,2)Ni12 cuboctahedra; corners with six equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with six Ni(2,2)Ni12 cuboctahedra; edges with six equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with twelve equivalent Ni(1)Ni9Ge3 cuboctahedra; faces with six equivalent Ge(1)Ni6Ge6 cuboctahedra; and faces with twelve equivalent Ni(1)Ni9Ge3 cuboctahedra. is represented by the CIF card [CIF]
data_Ni4Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.810
_cell_length_b   9.810
_cell_length_c   9.810
_cell_angle_alpha   15.448
_cell_angle_beta   15.448
_cell_angle_gamma   15.448
_symmetry_Int_Tables_number   1
_cell_volume   58.355
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.600  0.600  0.600  1.0
  Ni  Ni1  1  0.200  0.200  0.200  1.0
  Ni  Ni2  1  0.800  0.800  0.800  1.0
  Ni  Ni3  1  0.400  0.400  0.400  1.0
  Ge  Ge4  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Ni4Ge crystallizes in the trigonal R-3m space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ni(2), six equivalent Ni(1), and three equivalent Ge(1) atoms to form distorted NiNi9Ge3 cuboctahedra that share corners with three equivalent Ni(2)Ni12 cuboctahedra; corners with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with six equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine Ni(2,2)Ni12 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; faces with six equivalent Ni(2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with six equivalent Ge(1)Ni6Ge6 cuboctahedra. In the second Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. In the third Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. In the fourth Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. In the fifth Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. Ge(1) is bonded to six equivalent Ni(1) and six equivalent Ge(1) atoms to form distorted GeNi6Ge6 cuboctahedra that share corners with six Ni(2,2)Ni12 cuboctahedra; corners with six equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with six Ni(2,2)Ni12 cuboctahedra; edges with six equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with twelve equivalent Ni(1)Ni9Ge3 cuboctahedra; faces with six equivalent Ge(1)Ni6Ge6 cuboctahedra; and faces with twelve equivalent Ni(1)Ni9Ge3 cuboctahedra. is represented by the CIF card [CIF]
data_Ni4Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.810
_cell_length_b   9.810
_cell_length_c   9.810
_cell_angle_alpha   15.448
_cell_angle_beta   15.448
_cell_angle_gamma   15.448
_symmetry_Int_Tables_number   1
_cell_volume   58.355
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.600  0.600  0.600  1.0
  Ni  Ni1  1  0.200  0.200  0.200  1.0
  Ni  Ni2  1  0.800  0.800  0.800  1.0
  Ni  Ni3  1  0.400  0.400  0.400  1.0
  Ge  Ge4  1  0.000  0.000  0.000  1.0
[/CIF]
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