The crystal structure described by PrPtSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to six Pt(1,1) and six equivalent Si(1) atoms to form a mixture of face and edge-sharing PrSi6Pt6 cuboctahedra. In the second Pr site, Pr(1) is bonded to six Pt(1,1) and six equivalent Si(1) atoms to form a mixture of face and edge-sharing PrSi6Pt6 cuboctahedra. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Si(1) atoms. In the second Pt site, Pt(1) is bonded in a 9-coordinate geometry to six Pr(1,1) and three equivalent Si(1) atoms. In the third Pt site, Pt(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Si(1) atoms. Si(1) is bonded in a distorted trigonal planar geometry to six Pr(1,1) and three Pt(1,1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrSiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.835
_cell_length_b   7.835
_cell_length_c   7.835
_cell_angle_alpha   148.621
_cell_angle_beta   148.621
_cell_angle_gamma   44.969
_symmetry_Int_Tables_number   1
_cell_volume   129.989
_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
  Pr  Pr0  1  0.749  0.249  0.500  1.0
  Pr  Pr1  1  0.999  0.999  0.000  1.0
  Si  Si2  1  0.168  0.668  0.500  1.0
  Si  Si3  1  0.418  0.418  0.000  1.0
  Pt  Pt4  1  0.337  0.837  0.500  1.0
  Pt  Pt5  1  0.587  0.587  0.000  1.0
[/CIF]
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The crystal structure described by PrPtSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to six Pt(1,1) and six equivalent Si(1) atoms to form a mixture of face and edge-sharing PrSi6Pt6 cuboctahedra. In the second Pr site, Pr(1) is bonded to six Pt(1,1) and six equivalent Si(1) atoms to form a mixture of face and edge-sharing PrSi6Pt6 cuboctahedra. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Si(1) atoms. In the second Pt site, Pt(1) is bonded in a 9-coordinate geometry to six Pr(1,1) and three equivalent Si(1) atoms. In the third Pt site, Pt(1) is bonded in a 9-coordinate geometry to six equivalent Pr(1) and three equivalent Si(1) atoms. Si(1) is bonded in a distorted trigonal planar geometry to six Pr(1,1) and three Pt(1,1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrSiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.835
_cell_length_b   7.835
_cell_length_c   7.835
_cell_angle_alpha   148.621
_cell_angle_beta   148.621
_cell_angle_gamma   44.969
_symmetry_Int_Tables_number   1
_cell_volume   129.989
_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
  Pr  Pr0  1  0.749  0.249  0.500  1.0
  Pr  Pr1  1  0.999  0.999  0.000  1.0
  Si  Si2  1  0.168  0.668  0.500  1.0
  Si  Si3  1  0.418  0.418  0.000  1.0
  Pt  Pt4  1  0.337  0.837  0.500  1.0
  Pt  Pt5  1  0.587  0.587  0.000  1.0
[/CIF]
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