The structure described by ThPt2 crystallizes in the tetragonal I4/mmm space group. Th(1) is bonded in a 9-coordinate geometry to four equivalent Pt(1) and five equivalent Pt(2) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Th(1), four equivalent Pt(1), and four equivalent Pt(2) atoms to form distorted PtTh4Pt8 cuboctahedra that share corners with four equivalent Pt(1)Th4Pt8 cuboctahedra, corners with four equivalent Pt(2)Th5Pt4 square pyramids, edges with eight equivalent Pt(2)Th5Pt4 square pyramids, faces with eight equivalent Pt(1)Th4Pt8 cuboctahedra, and faces with four equivalent Pt(2)Th5Pt4 square pyramids. In the second Pt site, Pt(2) is bonded to five equivalent Th(1) and four equivalent Pt(1) atoms to form distorted PtTh5Pt4 square pyramids that share corners with four equivalent Pt(1)Th4Pt8 cuboctahedra, corners with eight equivalent Pt(2)Th5Pt4 square pyramids, edges with eight equivalent Pt(1)Th4Pt8 cuboctahedra, edges with four equivalent Pt(2)Th5Pt4 square pyramids, faces with four equivalent Pt(1)Th4Pt8 cuboctahedra, and faces with five equivalent Pt(2)Th5Pt4 square pyramids. is represented by the CIF file [CIF]
data_ThPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.188
_cell_length_b   4.188
_cell_length_c   7.799
_cell_angle_alpha   105.606
_cell_angle_beta   105.606
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   126.515
_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  0.656  0.656  0.313  1.0
  Th  Th1  1  0.344  0.344  0.687  1.0
  Pt  Pt2  1  0.500  0.000  0.000  1.0
  Pt  Pt3  1  0.000  0.500  0.000  1.0
  Pt  Pt4  1  0.865  0.865  0.729  1.0
  Pt  Pt5  1  0.135  0.135  0.271  1.0
[/CIF]
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The structure described by ThPt2 crystallizes in the tetragonal I4/mmm space group. Th(1) is bonded in a 9-coordinate geometry to four equivalent Pt(1) and five equivalent Pt(2) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Th(1), four equivalent Pt(1), and four equivalent Pt(2) atoms to form distorted PtTh4Pt8 cuboctahedra that share corners with four equivalent Pt(1)Th4Pt8 cuboctahedra, corners with four equivalent Pt(2)Th5Pt4 square pyramids, edges with eight equivalent Pt(2)Th5Pt4 square pyramids, faces with eight equivalent Pt(1)Th4Pt8 cuboctahedra, and faces with four equivalent Pt(2)Th5Pt4 square pyramids. In the second Pt site, Pt(2) is bonded to five equivalent Th(1) and four equivalent Pt(1) atoms to form distorted PtTh5Pt4 square pyramids that share corners with four equivalent Pt(1)Th4Pt8 cuboctahedra, corners with eight equivalent Pt(2)Th5Pt4 square pyramids, edges with eight equivalent Pt(1)Th4Pt8 cuboctahedra, edges with four equivalent Pt(2)Th5Pt4 square pyramids, faces with four equivalent Pt(1)Th4Pt8 cuboctahedra, and faces with five equivalent Pt(2)Th5Pt4 square pyramids. is represented by the CIF file [CIF]
data_ThPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.188
_cell_length_b   4.188
_cell_length_c   7.799
_cell_angle_alpha   105.606
_cell_angle_beta   105.606
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   126.515
_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  0.656  0.656  0.313  1.0
  Th  Th1  1  0.344  0.344  0.687  1.0
  Pt  Pt2  1  0.500  0.000  0.000  1.0
  Pt  Pt3  1  0.000  0.500  0.000  1.0
  Pt  Pt4  1  0.865  0.865  0.729  1.0
  Pt  Pt5  1  0.135  0.135  0.271  1.0
[/CIF]
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