The crystal structure described by PdSbSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Pd(1) is bonded to three equivalent Sb(1) and three equivalent Se(1) atoms to form PdSb3Se3 octahedra that share corners with twelve equivalent Pd(1)Sb3Se3 octahedra, corners with three equivalent Sb(1)Pd3Se tetrahedra, and corners with three equivalent Se(1)SbPd3 tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. Sb(1) is bonded to three equivalent Pd(1) and one Se(1) atom to form distorted SbPd3Se tetrahedra that share corners with three equivalent Pd(1)Sb3Se3 octahedra, corners with six equivalent Sb(1)Pd3Se tetrahedra, and corners with nine equivalent Se(1)SbPd3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. Se(1) is bonded to three equivalent Pd(1) and one Sb(1) atom to form SeSbPd3 tetrahedra that share corners with three equivalent Pd(1)Sb3Se3 octahedra, corners with six equivalent Se(1)SbPd3 tetrahedra, and corners with nine equivalent Sb(1)Pd3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°. is represented by the CIF file [CIF]
data_SbPdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.389
_cell_length_b   6.389
_cell_length_c   6.389
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   260.845
_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  0.873  0.627  0.373  1.0
  Sb  Sb1  1  0.373  0.873  0.627  1.0
  Sb  Sb2  1  0.127  0.127  0.127  1.0
  Sb  Sb3  1  0.627  0.373  0.873  1.0
  Pd  Pd4  1  0.748  0.248  0.252  1.0
  Pd  Pd5  1  0.248  0.252  0.748  1.0
  Pd  Pd6  1  0.252  0.748  0.248  1.0
  Pd  Pd7  1  0.752  0.752  0.752  1.0
  Se  Se8  1  0.367  0.367  0.367  1.0
  Se  Se9  1  0.133  0.633  0.867  1.0
  Se  Se10  1  0.867  0.133  0.633  1.0
  Se  Se11  1  0.633  0.867  0.133  1.0
[/CIF]
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The crystal structure described by PdSbSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Pd(1) is bonded to three equivalent Sb(1) and three equivalent Se(1) atoms to form PdSb3Se3 octahedra that share corners with twelve equivalent Pd(1)Sb3Se3 octahedra, corners with three equivalent Sb(1)Pd3Se tetrahedra, and corners with three equivalent Se(1)SbPd3 tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. Sb(1) is bonded to three equivalent Pd(1) and one Se(1) atom to form distorted SbPd3Se tetrahedra that share corners with three equivalent Pd(1)Sb3Se3 octahedra, corners with six equivalent Sb(1)Pd3Se tetrahedra, and corners with nine equivalent Se(1)SbPd3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. Se(1) is bonded to three equivalent Pd(1) and one Sb(1) atom to form SeSbPd3 tetrahedra that share corners with three equivalent Pd(1)Sb3Se3 octahedra, corners with six equivalent Se(1)SbPd3 tetrahedra, and corners with nine equivalent Sb(1)Pd3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°. is represented by the CIF file [CIF]
data_SbPdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.389
_cell_length_b   6.389
_cell_length_c   6.389
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   260.845
_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  0.873  0.627  0.373  1.0
  Sb  Sb1  1  0.373  0.873  0.627  1.0
  Sb  Sb2  1  0.127  0.127  0.127  1.0
  Sb  Sb3  1  0.627  0.373  0.873  1.0
  Pd  Pd4  1  0.748  0.248  0.252  1.0
  Pd  Pd5  1  0.248  0.252  0.748  1.0
  Pd  Pd6  1  0.252  0.748  0.248  1.0
  Pd  Pd7  1  0.752  0.752  0.752  1.0
  Se  Se8  1  0.367  0.367  0.367  1.0
  Se  Se9  1  0.133  0.633  0.867  1.0
  Se  Se10  1  0.867  0.133  0.633  1.0
  Se  Se11  1  0.633  0.867  0.133  1.0
[/CIF]
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