The structure described by NiGe3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Ni(1) is bonded to four equivalent Ge(2) and eight equivalent Ge(1) atoms to form NiGe12 cuboctahedra that share corners with four equivalent Ni(1)Ge12 cuboctahedra, corners with eight equivalent Ge(2)Ni4Ge8 cuboctahedra, edges with eight equivalent Ni(1)Ge12 cuboctahedra, edges with sixteen equivalent Ge(1)Ni4Ge8 cuboctahedra, faces with four equivalent Ni(1)Ge12 cuboctahedra, faces with six equivalent Ge(2)Ni4Ge8 cuboctahedra, and faces with eight equivalent Ge(1)Ni4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Ni(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form GeNi4Ge8 cuboctahedra that share corners with twelve equivalent Ge(1)Ni4Ge8 cuboctahedra, edges with eight equivalent Ni(1)Ge12 cuboctahedra, edges with eight equivalent Ge(1)Ni4Ge8 cuboctahedra, edges with eight equivalent Ge(2)Ni4Ge8 cuboctahedra, faces with four equivalent Ni(1)Ge12 cuboctahedra, faces with four equivalent Ge(2)Ni4Ge8 cuboctahedra, and faces with ten equivalent Ge(1)Ni4Ge8 cuboctahedra. In the second Ge site, Ge(2) is bonded to four equivalent Ni(1) and eight equivalent Ge(1) atoms to form GeNi4Ge8 cuboctahedra that share corners with four equivalent Ge(2)Ni4Ge8 cuboctahedra, corners with eight equivalent Ni(1)Ge12 cuboctahedra, edges with eight equivalent Ge(2)Ni4Ge8 cuboctahedra, edges with sixteen equivalent Ge(1)Ni4Ge8 cuboctahedra, faces with four equivalent Ge(2)Ni4Ge8 cuboctahedra, faces with six equivalent Ni(1)Ge12 cuboctahedra, and faces with eight equivalent Ge(1)Ni4Ge8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.824
_cell_length_b   4.824
_cell_length_c   4.824
_cell_angle_alpha   129.602
_cell_angle_beta   129.602
_cell_angle_gamma   74.044
_symmetry_Int_Tables_number   1
_cell_volume   64.977
_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  0.000  0.000  0.000  1.0
  Ge  Ge1  1  0.750  0.250  0.500  1.0
  Ge  Ge2  1  0.250  0.750  0.500  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by NiGe3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Ni(1) is bonded to four equivalent Ge(2) and eight equivalent Ge(1) atoms to form NiGe12 cuboctahedra that share corners with four equivalent Ni(1)Ge12 cuboctahedra, corners with eight equivalent Ge(2)Ni4Ge8 cuboctahedra, edges with eight equivalent Ni(1)Ge12 cuboctahedra, edges with sixteen equivalent Ge(1)Ni4Ge8 cuboctahedra, faces with four equivalent Ni(1)Ge12 cuboctahedra, faces with six equivalent Ge(2)Ni4Ge8 cuboctahedra, and faces with eight equivalent Ge(1)Ni4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Ni(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form GeNi4Ge8 cuboctahedra that share corners with twelve equivalent Ge(1)Ni4Ge8 cuboctahedra, edges with eight equivalent Ni(1)Ge12 cuboctahedra, edges with eight equivalent Ge(1)Ni4Ge8 cuboctahedra, edges with eight equivalent Ge(2)Ni4Ge8 cuboctahedra, faces with four equivalent Ni(1)Ge12 cuboctahedra, faces with four equivalent Ge(2)Ni4Ge8 cuboctahedra, and faces with ten equivalent Ge(1)Ni4Ge8 cuboctahedra. In the second Ge site, Ge(2) is bonded to four equivalent Ni(1) and eight equivalent Ge(1) atoms to form GeNi4Ge8 cuboctahedra that share corners with four equivalent Ge(2)Ni4Ge8 cuboctahedra, corners with eight equivalent Ni(1)Ge12 cuboctahedra, edges with eight equivalent Ge(2)Ni4Ge8 cuboctahedra, edges with sixteen equivalent Ge(1)Ni4Ge8 cuboctahedra, faces with four equivalent Ge(2)Ni4Ge8 cuboctahedra, faces with six equivalent Ni(1)Ge12 cuboctahedra, and faces with eight equivalent Ge(1)Ni4Ge8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.824
_cell_length_b   4.824
_cell_length_c   4.824
_cell_angle_alpha   129.602
_cell_angle_beta   129.602
_cell_angle_gamma   74.044
_symmetry_Int_Tables_number   1
_cell_volume   64.977
_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  0.000  0.000  0.000  1.0
  Ge  Ge1  1  0.750  0.250  0.500  1.0
  Ge  Ge2  1  0.250  0.750  0.500  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
[/CIF]
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