The material described by Ni3Pt is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Pt(1) is bonded to four equivalent Ni(2) and eight equivalent Ni(1) atoms to form PtNi12 cuboctahedra that share corners with four equivalent Pt(1)Ni12 cuboctahedra, corners with eight equivalent Ni(2)Ni8Pt4 cuboctahedra, edges with eight equivalent Pt(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(1)Ni8Pt4 cuboctahedra, faces with four equivalent Pt(1)Ni12 cuboctahedra, faces with six equivalent Ni(2)Ni8Pt4 cuboctahedra, and faces with eight equivalent Ni(1)Ni8Pt4 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Pt(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form distorted NiNi8Pt4 cuboctahedra that share corners with twelve equivalent Ni(1)Ni8Pt4 cuboctahedra, edges with eight equivalent Pt(1)Ni12 cuboctahedra, edges with eight equivalent Ni(1)Ni8Pt4 cuboctahedra, edges with eight equivalent Ni(2)Ni8Pt4 cuboctahedra, faces with four equivalent Pt(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)Ni8Pt4 cuboctahedra, and faces with ten equivalent Ni(1)Ni8Pt4 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Pt(1) and eight equivalent Ni(1) atoms to form NiNi8Pt4 cuboctahedra that share corners with four equivalent Ni(2)Ni8Pt4 cuboctahedra, corners with eight equivalent Pt(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)Ni8Pt4 cuboctahedra, edges with sixteen equivalent Ni(1)Ni8Pt4 cuboctahedra, faces with four equivalent Ni(2)Ni8Pt4 cuboctahedra, faces with six equivalent Pt(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(1)Ni8Pt4 cuboctahedra. is represented by the CIF file [CIF]
data_Ni3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.424
_cell_length_b   4.424
_cell_length_c   4.424
_cell_angle_alpha   131.561
_cell_angle_beta   131.561
_cell_angle_gamma   70.923
_symmetry_Int_Tables_number   1
_cell_volume   47.475
_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  0.750  0.250  0.500  1.0
  Ni  Ni1  1  0.250  0.750  0.500  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Pt  Pt3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Ni3Pt is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Pt(1) is bonded to four equivalent Ni(2) and eight equivalent Ni(1) atoms to form PtNi12 cuboctahedra that share corners with four equivalent Pt(1)Ni12 cuboctahedra, corners with eight equivalent Ni(2)Ni8Pt4 cuboctahedra, edges with eight equivalent Pt(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(1)Ni8Pt4 cuboctahedra, faces with four equivalent Pt(1)Ni12 cuboctahedra, faces with six equivalent Ni(2)Ni8Pt4 cuboctahedra, and faces with eight equivalent Ni(1)Ni8Pt4 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Pt(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form distorted NiNi8Pt4 cuboctahedra that share corners with twelve equivalent Ni(1)Ni8Pt4 cuboctahedra, edges with eight equivalent Pt(1)Ni12 cuboctahedra, edges with eight equivalent Ni(1)Ni8Pt4 cuboctahedra, edges with eight equivalent Ni(2)Ni8Pt4 cuboctahedra, faces with four equivalent Pt(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)Ni8Pt4 cuboctahedra, and faces with ten equivalent Ni(1)Ni8Pt4 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Pt(1) and eight equivalent Ni(1) atoms to form NiNi8Pt4 cuboctahedra that share corners with four equivalent Ni(2)Ni8Pt4 cuboctahedra, corners with eight equivalent Pt(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)Ni8Pt4 cuboctahedra, edges with sixteen equivalent Ni(1)Ni8Pt4 cuboctahedra, faces with four equivalent Ni(2)Ni8Pt4 cuboctahedra, faces with six equivalent Pt(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(1)Ni8Pt4 cuboctahedra. is represented by the CIF file [CIF]
data_Ni3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.424
_cell_length_b   4.424
_cell_length_c   4.424
_cell_angle_alpha   131.561
_cell_angle_beta   131.561
_cell_angle_gamma   70.923
_symmetry_Int_Tables_number   1
_cell_volume   47.475
_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  0.750  0.250  0.500  1.0
  Ni  Ni1  1  0.250  0.750  0.500  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Pt  Pt3  1  0.000  0.000  0.000  1.0
[/CIF]
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