The compound described by Ni3Fe is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Fe(1) is bonded to twelve equivalent Ni(1) atoms to form FeNi12 cuboctahedra that share corners with twelve equivalent Fe(1)Ni12 cuboctahedra, edges with twenty-four equivalent Ni(1)Fe4Ni8 cuboctahedra, faces with six equivalent Fe(1)Ni12 cuboctahedra, and faces with twelve equivalent Ni(1)Fe4Ni8 cuboctahedra. Ni(1) is bonded to four equivalent Fe(1) and eight equivalent Ni(1) atoms to form NiFe4Ni8 cuboctahedra that share corners with twelve equivalent Ni(1)Fe4Ni8 cuboctahedra, edges with eight equivalent Fe(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(1)Fe4Ni8 cuboctahedra, faces with four equivalent Fe(1)Ni12 cuboctahedra, and faces with fourteen equivalent Ni(1)Fe4Ni8 cuboctahedra. is represented by the CIF file [CIF]
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.510
_cell_length_b   3.510
_cell_length_c   3.510
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   43.259
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by Ni3Fe is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Fe(1) is bonded to twelve equivalent Ni(1) atoms to form FeNi12 cuboctahedra that share corners with twelve equivalent Fe(1)Ni12 cuboctahedra, edges with twenty-four equivalent Ni(1)Fe4Ni8 cuboctahedra, faces with six equivalent Fe(1)Ni12 cuboctahedra, and faces with twelve equivalent Ni(1)Fe4Ni8 cuboctahedra. Ni(1) is bonded to four equivalent Fe(1) and eight equivalent Ni(1) atoms to form NiFe4Ni8 cuboctahedra that share corners with twelve equivalent Ni(1)Fe4Ni8 cuboctahedra, edges with eight equivalent Fe(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(1)Fe4Ni8 cuboctahedra, faces with four equivalent Fe(1)Ni12 cuboctahedra, and faces with fourteen equivalent Ni(1)Fe4Ni8 cuboctahedra. is represented by the CIF file [CIF]
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.510
_cell_length_b   3.510
_cell_length_c   3.510
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   43.259
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
[/CIF]
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