The crystal structure described by NiFe2 crystallizes in the trigonal P-3m1 space group. Fe(1) is bonded to nine equivalent Fe(1) and three equivalent Ni(1) atoms to form FeFe9Ni3 cuboctahedra that share corners with three equivalent Ni(1)Fe6Ni6 cuboctahedra, corners with nine equivalent Fe(1)Fe9Ni3 cuboctahedra, edges with nine equivalent Ni(1)Fe6Ni6 cuboctahedra, edges with fifteen equivalent Fe(1)Fe9Ni3 cuboctahedra, faces with six equivalent Ni(1)Fe6Ni6 cuboctahedra, and faces with twelve equivalent Fe(1)Fe9Ni3 cuboctahedra. Ni(1) is bonded to six equivalent Fe(1) and six equivalent Ni(1) atoms to form NiFe6Ni6 cuboctahedra that share corners with six equivalent Fe(1)Fe9Ni3 cuboctahedra, corners with six equivalent Ni(1)Fe6Ni6 cuboctahedra, edges with six equivalent Ni(1)Fe6Ni6 cuboctahedra, edges with eighteen equivalent Fe(1)Fe9Ni3 cuboctahedra, faces with six equivalent Ni(1)Fe6Ni6 cuboctahedra, and faces with twelve equivalent Fe(1)Fe9Ni3 cuboctahedra. is represented by the CIF card [CIF]
data_Fe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.518
_cell_length_b   2.518
_cell_length_c   6.267
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   34.400
_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
  Fe  Fe0  1  0.333  0.667  0.671  1.0
  Fe  Fe1  1  0.667  0.333  0.329  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by NiFe2 crystallizes in the trigonal P-3m1 space group. Fe(1) is bonded to nine equivalent Fe(1) and three equivalent Ni(1) atoms to form FeFe9Ni3 cuboctahedra that share corners with three equivalent Ni(1)Fe6Ni6 cuboctahedra, corners with nine equivalent Fe(1)Fe9Ni3 cuboctahedra, edges with nine equivalent Ni(1)Fe6Ni6 cuboctahedra, edges with fifteen equivalent Fe(1)Fe9Ni3 cuboctahedra, faces with six equivalent Ni(1)Fe6Ni6 cuboctahedra, and faces with twelve equivalent Fe(1)Fe9Ni3 cuboctahedra. Ni(1) is bonded to six equivalent Fe(1) and six equivalent Ni(1) atoms to form NiFe6Ni6 cuboctahedra that share corners with six equivalent Fe(1)Fe9Ni3 cuboctahedra, corners with six equivalent Ni(1)Fe6Ni6 cuboctahedra, edges with six equivalent Ni(1)Fe6Ni6 cuboctahedra, edges with eighteen equivalent Fe(1)Fe9Ni3 cuboctahedra, faces with six equivalent Ni(1)Fe6Ni6 cuboctahedra, and faces with twelve equivalent Fe(1)Fe9Ni3 cuboctahedra. is represented by the CIF card [CIF]
data_Fe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.518
_cell_length_b   2.518
_cell_length_c   6.267
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   34.400
_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
  Fe  Fe0  1  0.333  0.667  0.671  1.0
  Fe  Fe1  1  0.667  0.333  0.329  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
[/CIF]
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