The structure described by PtGeSe is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. Pt(1) is bonded to three equivalent Ge(1) and three equivalent Se(1) atoms to form PtGe3Se3 octahedra that share corners with twelve equivalent Pt(1)Ge3Se3 octahedra, corners with three equivalent Ge(1)Pt3Se tetrahedra, and corners with three equivalent Se(1)GePt3 tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. Ge(1) is bonded to three equivalent Pt(1) and one Se(1) atom to form GePt3Se tetrahedra that share corners with three equivalent Pt(1)Ge3Se3 octahedra, corners with six equivalent Ge(1)Pt3Se tetrahedra, and corners with nine equivalent Se(1)GePt3 tetrahedra. The corner-sharing octahedral tilt angles range from 75-80°. Se(1) is bonded to three equivalent Pt(1) and one Ge(1) atom to form SeGePt3 tetrahedra that share corners with three equivalent Pt(1)Ge3Se3 octahedra, corners with six equivalent Se(1)GePt3 tetrahedra, and corners with nine equivalent Ge(1)Pt3Se tetrahedra. The corner-sharing octahedral tilt angles range from 78-79°. is represented by the Crystallographic Information File (CIF) [CIF]
data_GePtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.029
_cell_length_b   6.053
_cell_length_c   6.111
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.981
_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
  Ge  Ge0  1  0.881  0.882  0.375  1.0
  Ge  Ge1  1  0.881  0.382  0.625  1.0
  Ge  Ge2  1  0.381  0.618  0.375  1.0
  Ge  Ge3  1  0.381  0.118  0.625  1.0
  Pt  Pt4  1  0.003  0.509  0.260  1.0
  Pt  Pt5  1  0.503  0.491  0.740  1.0
  Pt  Pt6  1  0.503  0.991  0.260  1.0
  Pt  Pt7  1  0.003  0.009  0.740  1.0
  Se  Se8  1  0.114  0.617  0.863  1.0
  Se  Se9  1  0.114  0.117  0.137  1.0
  Se  Se10  1  0.614  0.883  0.863  1.0
  Se  Se11  1  0.614  0.383  0.137  1.0
[/CIF]
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The structure described by PtGeSe is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. Pt(1) is bonded to three equivalent Ge(1) and three equivalent Se(1) atoms to form PtGe3Se3 octahedra that share corners with twelve equivalent Pt(1)Ge3Se3 octahedra, corners with three equivalent Ge(1)Pt3Se tetrahedra, and corners with three equivalent Se(1)GePt3 tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. Ge(1) is bonded to three equivalent Pt(1) and one Se(1) atom to form GePt3Se tetrahedra that share corners with three equivalent Pt(1)Ge3Se3 octahedra, corners with six equivalent Ge(1)Pt3Se tetrahedra, and corners with nine equivalent Se(1)GePt3 tetrahedra. The corner-sharing octahedral tilt angles range from 75-80°. Se(1) is bonded to three equivalent Pt(1) and one Ge(1) atom to form SeGePt3 tetrahedra that share corners with three equivalent Pt(1)Ge3Se3 octahedra, corners with six equivalent Se(1)GePt3 tetrahedra, and corners with nine equivalent Ge(1)Pt3Se tetrahedra. The corner-sharing octahedral tilt angles range from 78-79°. is represented by the Crystallographic Information File (CIF) [CIF]
data_GePtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.029
_cell_length_b   6.053
_cell_length_c   6.111
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.981
_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
  Ge  Ge0  1  0.881  0.882  0.375  1.0
  Ge  Ge1  1  0.881  0.382  0.625  1.0
  Ge  Ge2  1  0.381  0.618  0.375  1.0
  Ge  Ge3  1  0.381  0.118  0.625  1.0
  Pt  Pt4  1  0.003  0.509  0.260  1.0
  Pt  Pt5  1  0.503  0.491  0.740  1.0
  Pt  Pt6  1  0.503  0.991  0.260  1.0
  Pt  Pt7  1  0.003  0.009  0.740  1.0
  Se  Se8  1  0.114  0.617  0.863  1.0
  Se  Se9  1  0.114  0.117  0.137  1.0
  Se  Se10  1  0.614  0.883  0.863  1.0
  Se  Se11  1  0.614  0.383  0.137  1.0
[/CIF]
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