The material described by ThPt3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Th(1) is bonded to twelve Pt(1,1) atoms to form ThPt12 cuboctahedra that share corners with six equivalent Th(1)Pt12 cuboctahedra; corners with twelve equivalent Pt(1)Th4Pt8 cuboctahedra; edges with eighteen Pt(1,1)Th4Pt8 cuboctahedra; faces with eight equivalent Th(1)Pt12 cuboctahedra; and faces with twelve Pt(1,1)Th4Pt8 cuboctahedra. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Th(1) and eight Pt(1,1) atoms to form distorted PtTh4Pt8 cuboctahedra that share corners with four equivalent Th(1)Pt12 cuboctahedra; corners with fourteen Pt(1,1)Th4Pt8 cuboctahedra; edges with six equivalent Th(1)Pt12 cuboctahedra; edges with twelve Pt(1,1)Th4Pt8 cuboctahedra; faces with four equivalent Th(1)Pt12 cuboctahedra; and faces with sixteen Pt(1,1)Th4Pt8 cuboctahedra. In the second Pt site, Pt(1) is bonded to four equivalent Th(1) and eight equivalent Pt(1) atoms to form distorted PtTh4Pt8 cuboctahedra that share corners with four equivalent Th(1)Pt12 cuboctahedra; corners with fourteen Pt(1,1)Th4Pt8 cuboctahedra; edges with six equivalent Th(1)Pt12 cuboctahedra; edges with twelve equivalent Pt(1)Th4Pt8 cuboctahedra; faces with four equivalent Th(1)Pt12 cuboctahedra; and faces with sixteen Pt(1,1)Th4Pt8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.896
_cell_length_b   5.896
_cell_length_c   5.017
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   151.056
_cell_formula_units_Z   2
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
  Th  Th0  1  0.333  0.667  0.750  1.0
  Th  Th1  1  0.667  0.333  0.250  1.0
  Pt  Pt2  1  0.160  0.320  0.250  1.0
  Pt  Pt3  1  0.680  0.840  0.250  1.0
  Pt  Pt4  1  0.160  0.840  0.250  1.0
  Pt  Pt5  1  0.840  0.680  0.750  1.0
  Pt  Pt6  1  0.320  0.160  0.750  1.0
  Pt  Pt7  1  0.840  0.160  0.750  1.0
[/CIF]
.
The material described by ThPt3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Th(1) is bonded to twelve Pt(1,1) atoms to form ThPt12 cuboctahedra that share corners with six equivalent Th(1)Pt12 cuboctahedra; corners with twelve equivalent Pt(1)Th4Pt8 cuboctahedra; edges with eighteen Pt(1,1)Th4Pt8 cuboctahedra; faces with eight equivalent Th(1)Pt12 cuboctahedra; and faces with twelve Pt(1,1)Th4Pt8 cuboctahedra. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Th(1) and eight Pt(1,1) atoms to form distorted PtTh4Pt8 cuboctahedra that share corners with four equivalent Th(1)Pt12 cuboctahedra; corners with fourteen Pt(1,1)Th4Pt8 cuboctahedra; edges with six equivalent Th(1)Pt12 cuboctahedra; edges with twelve Pt(1,1)Th4Pt8 cuboctahedra; faces with four equivalent Th(1)Pt12 cuboctahedra; and faces with sixteen Pt(1,1)Th4Pt8 cuboctahedra. In the second Pt site, Pt(1) is bonded to four equivalent Th(1) and eight equivalent Pt(1) atoms to form distorted PtTh4Pt8 cuboctahedra that share corners with four equivalent Th(1)Pt12 cuboctahedra; corners with fourteen Pt(1,1)Th4Pt8 cuboctahedra; edges with six equivalent Th(1)Pt12 cuboctahedra; edges with twelve equivalent Pt(1)Th4Pt8 cuboctahedra; faces with four equivalent Th(1)Pt12 cuboctahedra; and faces with sixteen Pt(1,1)Th4Pt8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.896
_cell_length_b   5.896
_cell_length_c   5.017
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   151.056
_cell_formula_units_Z   2
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
  Th  Th0  1  0.333  0.667  0.750  1.0
  Th  Th1  1  0.667  0.333  0.250  1.0
  Pt  Pt2  1  0.160  0.320  0.250  1.0
  Pt  Pt3  1  0.680  0.840  0.250  1.0
  Pt  Pt4  1  0.160  0.840  0.250  1.0
  Pt  Pt5  1  0.840  0.680  0.750  1.0
  Pt  Pt6  1  0.320  0.160  0.750  1.0
  Pt  Pt7  1  0.840  0.160  0.750  1.0
[/CIF]
.