The compound described by NiFe is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. Fe(1) is bonded to four equivalent Fe(1) and eight equivalent Ni(1) atoms to form FeFe4Ni8 cuboctahedra that share corners with twelve equivalent Fe(1)Fe4Ni8 cuboctahedra, edges with eight equivalent Fe(1)Fe4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Fe8Ni4 cuboctahedra, faces with eight equivalent Ni(1)Fe8Ni4 cuboctahedra, and faces with ten equivalent Fe(1)Fe4Ni8 cuboctahedra. Ni(1) is bonded to eight equivalent Fe(1) and four equivalent Ni(1) atoms to form NiFe8Ni4 cuboctahedra that share corners with twelve equivalent Ni(1)Fe8Ni4 cuboctahedra, edges with eight equivalent Ni(1)Fe8Ni4 cuboctahedra, edges with sixteen equivalent Fe(1)Fe4Ni8 cuboctahedra, faces with eight equivalent Fe(1)Fe4Ni8 cuboctahedra, and faces with ten equivalent Ni(1)Fe8Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.512
_cell_length_b   2.512
_cell_length_c   3.531
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   22.283
_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  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by NiFe is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. Fe(1) is bonded to four equivalent Fe(1) and eight equivalent Ni(1) atoms to form FeFe4Ni8 cuboctahedra that share corners with twelve equivalent Fe(1)Fe4Ni8 cuboctahedra, edges with eight equivalent Fe(1)Fe4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Fe8Ni4 cuboctahedra, faces with eight equivalent Ni(1)Fe8Ni4 cuboctahedra, and faces with ten equivalent Fe(1)Fe4Ni8 cuboctahedra. Ni(1) is bonded to eight equivalent Fe(1) and four equivalent Ni(1) atoms to form NiFe8Ni4 cuboctahedra that share corners with twelve equivalent Ni(1)Fe8Ni4 cuboctahedra, edges with eight equivalent Ni(1)Fe8Ni4 cuboctahedra, edges with sixteen equivalent Fe(1)Fe4Ni8 cuboctahedra, faces with eight equivalent Fe(1)Fe4Ni8 cuboctahedra, and faces with ten equivalent Ni(1)Fe8Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.512
_cell_length_b   2.512
_cell_length_c   3.531
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   22.283
_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  0.500  0.500  0.500  1.0
[/CIF]
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