The structure described by PtSbSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Pt(1) is bonded to three equivalent Sb(1) and three equivalent Se(1) atoms to form PtSb3Se3 octahedra that share corners with twelve equivalent Pt(1)Sb3Se3 octahedra, corners with three equivalent Sb(1)Pt3Se tetrahedra, and corners with three equivalent Se(1)SbPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. Sb(1) is bonded to three equivalent Pt(1) and one Se(1) atom to form SbPt3Se tetrahedra that share corners with three equivalent Pt(1)Sb3Se3 octahedra, corners with six equivalent Sb(1)Pt3Se tetrahedra, and corners with nine equivalent Se(1)SbPt3 tetrahedra. The corner-sharing octahedral tilt angles are 79°. Se(1) is bonded to three equivalent Pt(1) and one Sb(1) atom to form SeSbPt3 tetrahedra that share corners with three equivalent Pt(1)Sb3Se3 octahedra, corners with six equivalent Se(1)SbPt3 tetrahedra, and corners with nine equivalent Sb(1)Pt3Se tetrahedra. The corner-sharing octahedral tilt angles are 80°. is represented by the CIF card [CIF]
data_SbPtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.390
_cell_length_b   6.390
_cell_length_c   6.390
_cell_angle_alpha   89.997
_cell_angle_beta   90.003
_cell_angle_gamma   90.011
_symmetry_Int_Tables_number   1
_cell_volume   260.894
_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
  Sb  Sb0  1  0.877  0.377  0.123  1.0
  Sb  Sb1  1  0.377  0.123  0.877  1.0
  Sb  Sb2  1  0.123  0.877  0.377  1.0
  Sb  Sb3  1  0.623  0.623  0.623  1.0
  Pt  Pt4  1  0.500  1.000  0.500  1.0
  Pt  Pt5  1  1.000  0.500  0.500  1.0
  Pt  Pt6  1  0.500  0.500  1.000  1.0
  Pt  Pt7  1  0.000  1.000  0.000  1.0
  Se  Se8  1  0.119  0.619  0.881  1.0
  Se  Se9  1  0.619  0.881  0.119  1.0
  Se  Se10  1  0.881  0.120  0.620  1.0
  Se  Se11  1  0.381  0.381  0.381  1.0
[/CIF]
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The structure described by PtSbSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Pt(1) is bonded to three equivalent Sb(1) and three equivalent Se(1) atoms to form PtSb3Se3 octahedra that share corners with twelve equivalent Pt(1)Sb3Se3 octahedra, corners with three equivalent Sb(1)Pt3Se tetrahedra, and corners with three equivalent Se(1)SbPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. Sb(1) is bonded to three equivalent Pt(1) and one Se(1) atom to form SbPt3Se tetrahedra that share corners with three equivalent Pt(1)Sb3Se3 octahedra, corners with six equivalent Sb(1)Pt3Se tetrahedra, and corners with nine equivalent Se(1)SbPt3 tetrahedra. The corner-sharing octahedral tilt angles are 79°. Se(1) is bonded to three equivalent Pt(1) and one Sb(1) atom to form SeSbPt3 tetrahedra that share corners with three equivalent Pt(1)Sb3Se3 octahedra, corners with six equivalent Se(1)SbPt3 tetrahedra, and corners with nine equivalent Sb(1)Pt3Se tetrahedra. The corner-sharing octahedral tilt angles are 80°. is represented by the CIF card [CIF]
data_SbPtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.390
_cell_length_b   6.390
_cell_length_c   6.390
_cell_angle_alpha   89.997
_cell_angle_beta   90.003
_cell_angle_gamma   90.011
_symmetry_Int_Tables_number   1
_cell_volume   260.894
_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
  Sb  Sb0  1  0.877  0.377  0.123  1.0
  Sb  Sb1  1  0.377  0.123  0.877  1.0
  Sb  Sb2  1  0.123  0.877  0.377  1.0
  Sb  Sb3  1  0.623  0.623  0.623  1.0
  Pt  Pt4  1  0.500  1.000  0.500  1.0
  Pt  Pt5  1  1.000  0.500  0.500  1.0
  Pt  Pt6  1  0.500  0.500  1.000  1.0
  Pt  Pt7  1  0.000  1.000  0.000  1.0
  Se  Se8  1  0.119  0.619  0.881  1.0
  Se  Se9  1  0.619  0.881  0.119  1.0
  Se  Se10  1  0.881  0.120  0.620  1.0
  Se  Se11  1  0.381  0.381  0.381  1.0
[/CIF]
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