The material described by Pt3Bi is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Bi(1) atoms to form PtBi4Pt8 cuboctahedra that share corners with twelve equivalent Pt(1)Bi4Pt8 cuboctahedra, edges with eight equivalent Pt(1)Bi4Pt8 cuboctahedra, edges with eight equivalent Pt(2)Bi4Pt8 cuboctahedra, edges with eight equivalent Bi(1)Pt12 cuboctahedra, faces with four equivalent Pt(2)Bi4Pt8 cuboctahedra, faces with four equivalent Bi(1)Pt12 cuboctahedra, and faces with ten equivalent Pt(1)Bi4Pt8 cuboctahedra. In the second Pt site, Pt(2) is bonded to eight equivalent Pt(1) and four equivalent Bi(1) atoms to form distorted PtBi4Pt8 cuboctahedra that share corners with four equivalent Pt(2)Bi4Pt8 cuboctahedra, corners with eight equivalent Bi(1)Pt12 cuboctahedra, edges with eight equivalent Pt(2)Bi4Pt8 cuboctahedra, edges with sixteen equivalent Pt(1)Bi4Pt8 cuboctahedra, faces with four equivalent Pt(2)Bi4Pt8 cuboctahedra, faces with six equivalent Bi(1)Pt12 cuboctahedra, and faces with eight equivalent Pt(1)Bi4Pt8 cuboctahedra. Bi(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form BiPt12 cuboctahedra that share corners with four equivalent Bi(1)Pt12 cuboctahedra, corners with eight equivalent Pt(2)Bi4Pt8 cuboctahedra, edges with eight equivalent Bi(1)Pt12 cuboctahedra, edges with sixteen equivalent Pt(1)Bi4Pt8 cuboctahedra, faces with four equivalent Bi(1)Pt12 cuboctahedra, faces with six equivalent Pt(2)Bi4Pt8 cuboctahedra, and faces with eight equivalent Pt(1)Bi4Pt8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BiPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   5.238
_cell_length_c   5.238
_cell_angle_alpha   134.007
_cell_angle_beta   134.007
_cell_angle_gamma   67.077
_symmetry_Int_Tables_number   1
_cell_volume   73.123
_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
  Bi  Bi0  1  0.000  0.000  0.000  1.0
  Pt  Pt1  1  0.750  0.250  0.500  1.0
  Pt  Pt2  1  0.250  0.750  0.500  1.0
  Pt  Pt3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by Pt3Bi is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Bi(1) atoms to form PtBi4Pt8 cuboctahedra that share corners with twelve equivalent Pt(1)Bi4Pt8 cuboctahedra, edges with eight equivalent Pt(1)Bi4Pt8 cuboctahedra, edges with eight equivalent Pt(2)Bi4Pt8 cuboctahedra, edges with eight equivalent Bi(1)Pt12 cuboctahedra, faces with four equivalent Pt(2)Bi4Pt8 cuboctahedra, faces with four equivalent Bi(1)Pt12 cuboctahedra, and faces with ten equivalent Pt(1)Bi4Pt8 cuboctahedra. In the second Pt site, Pt(2) is bonded to eight equivalent Pt(1) and four equivalent Bi(1) atoms to form distorted PtBi4Pt8 cuboctahedra that share corners with four equivalent Pt(2)Bi4Pt8 cuboctahedra, corners with eight equivalent Bi(1)Pt12 cuboctahedra, edges with eight equivalent Pt(2)Bi4Pt8 cuboctahedra, edges with sixteen equivalent Pt(1)Bi4Pt8 cuboctahedra, faces with four equivalent Pt(2)Bi4Pt8 cuboctahedra, faces with six equivalent Bi(1)Pt12 cuboctahedra, and faces with eight equivalent Pt(1)Bi4Pt8 cuboctahedra. Bi(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form BiPt12 cuboctahedra that share corners with four equivalent Bi(1)Pt12 cuboctahedra, corners with eight equivalent Pt(2)Bi4Pt8 cuboctahedra, edges with eight equivalent Bi(1)Pt12 cuboctahedra, edges with sixteen equivalent Pt(1)Bi4Pt8 cuboctahedra, faces with four equivalent Bi(1)Pt12 cuboctahedra, faces with six equivalent Pt(2)Bi4Pt8 cuboctahedra, and faces with eight equivalent Pt(1)Bi4Pt8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BiPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   5.238
_cell_length_c   5.238
_cell_angle_alpha   134.007
_cell_angle_beta   134.007
_cell_angle_gamma   67.077
_symmetry_Int_Tables_number   1
_cell_volume   73.123
_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
  Bi  Bi0  1  0.000  0.000  0.000  1.0
  Pt  Pt1  1  0.750  0.250  0.500  1.0
  Pt  Pt2  1  0.250  0.750  0.500  1.0
  Pt  Pt3  1  0.500  0.500  0.000  1.0
[/CIF]
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