The crystal structure described by PtSiSe is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. Pt(1) is bonded to three equivalent Si(1) and three equivalent Se(1) atoms to form PtSi3Se3 octahedra that share corners with twelve equivalent Pt(1)Si3Se3 octahedra, corners with three equivalent Si(1)Pt3Se tetrahedra, and corners with three equivalent Se(1)SiPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 63-66°. Si(1) is bonded to three equivalent Pt(1) and one Se(1) atom to form SiPt3Se tetrahedra that share corners with three equivalent Pt(1)Si3Se3 octahedra, corners with six equivalent Si(1)Pt3Se tetrahedra, and corners with nine equivalent Se(1)SiPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 72-82°. Se(1) is bonded to three equivalent Pt(1) and one Si(1) atom to form SeSiPt3 tetrahedra that share corners with three equivalent Pt(1)Si3Se3 octahedra, corners with six equivalent Se(1)SiPt3 tetrahedra, and corners with nine equivalent Si(1)Pt3Se tetrahedra. The corner-sharing octahedral tilt angles range from 77-79°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SiPtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.902
_cell_length_b   5.951
_cell_length_c   6.062
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.913
_cell_formula_units_Z   4
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
  Si  Si0  1  0.614  0.887  0.875  1.0
  Si  Si1  1  0.114  0.113  0.125  1.0
  Si  Si2  1  0.114  0.613  0.875  1.0
  Si  Si3  1  0.614  0.387  0.125  1.0
  Pt  Pt4  1  0.995  0.482  0.229  1.0
  Pt  Pt5  1  0.495  0.518  0.771  1.0
  Pt  Pt6  1  0.495  0.018  0.229  1.0
  Pt  Pt7  1  0.995  0.982  0.771  1.0
  Se  Se8  1  0.390  0.114  0.640  1.0
  Se  Se9  1  0.890  0.886  0.360  1.0
  Se  Se10  1  0.890  0.386  0.640  1.0
  Se  Se11  1  0.390  0.614  0.360  1.0
[/CIF]
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The crystal structure described by PtSiSe is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. Pt(1) is bonded to three equivalent Si(1) and three equivalent Se(1) atoms to form PtSi3Se3 octahedra that share corners with twelve equivalent Pt(1)Si3Se3 octahedra, corners with three equivalent Si(1)Pt3Se tetrahedra, and corners with three equivalent Se(1)SiPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 63-66°. Si(1) is bonded to three equivalent Pt(1) and one Se(1) atom to form SiPt3Se tetrahedra that share corners with three equivalent Pt(1)Si3Se3 octahedra, corners with six equivalent Si(1)Pt3Se tetrahedra, and corners with nine equivalent Se(1)SiPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 72-82°. Se(1) is bonded to three equivalent Pt(1) and one Si(1) atom to form SeSiPt3 tetrahedra that share corners with three equivalent Pt(1)Si3Se3 octahedra, corners with six equivalent Se(1)SiPt3 tetrahedra, and corners with nine equivalent Si(1)Pt3Se tetrahedra. The corner-sharing octahedral tilt angles range from 77-79°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SiPtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.902
_cell_length_b   5.951
_cell_length_c   6.062
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.913
_cell_formula_units_Z   4
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
  Si  Si0  1  0.614  0.887  0.875  1.0
  Si  Si1  1  0.114  0.113  0.125  1.0
  Si  Si2  1  0.114  0.613  0.875  1.0
  Si  Si3  1  0.614  0.387  0.125  1.0
  Pt  Pt4  1  0.995  0.482  0.229  1.0
  Pt  Pt5  1  0.495  0.518  0.771  1.0
  Pt  Pt6  1  0.495  0.018  0.229  1.0
  Pt  Pt7  1  0.995  0.982  0.771  1.0
  Se  Se8  1  0.390  0.114  0.640  1.0
  Se  Se9  1  0.890  0.886  0.360  1.0
  Se  Se10  1  0.890  0.386  0.640  1.0
  Se  Se11  1  0.390  0.614  0.360  1.0
[/CIF]
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