The material described by RhPSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Rh(1) is bonded to three equivalent P(1) and three equivalent Se(1) atoms to form RhP3Se3 octahedra that share corners with twelve equivalent Rh(1)P3Se3 octahedra, corners with three equivalent P(1)Rh3Se tetrahedra, and corners with three equivalent Se(1)PRh3 tetrahedra. The corner-sharing octahedral tilt angles range from 64-65°. P(1) is bonded to three equivalent Rh(1) and one Se(1) atom to form PRh3Se tetrahedra that share corners with three equivalent Rh(1)P3Se3 octahedra, corners with six equivalent P(1)Rh3Se tetrahedra, and corners with nine equivalent Se(1)PRh3 tetrahedra. The corner-sharing octahedral tilt angles are 77°. Se(1) is bonded to three equivalent Rh(1) and one P(1) atom to form SePRh3 tetrahedra that share corners with three equivalent Rh(1)P3Se3 octahedra, corners with six equivalent Se(1)PRh3 tetrahedra, and corners with nine equivalent P(1)Rh3Se tetrahedra. The corner-sharing octahedral tilt angles are 78°. is represented by the CIF card [CIF]
data_PRhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.826
_cell_length_b   5.826
_cell_length_c   5.826
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.732
_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
  P  P0  1  0.886  0.386  0.114  1.0
  P  P1  1  0.386  0.114  0.886  1.0
  P  P2  1  0.114  0.886  0.386  1.0
  P  P3  1  0.614  0.614  0.614  1.0
  Rh  Rh4  1  0.486  0.986  0.514  1.0
  Rh  Rh5  1  0.986  0.514  0.486  1.0
  Rh  Rh6  1  0.514  0.486  0.986  1.0
  Rh  Rh7  1  0.014  0.014  0.014  1.0
  Se  Se8  1  0.115  0.615  0.885  1.0
  Se  Se9  1  0.615  0.885  0.115  1.0
  Se  Se10  1  0.885  0.115  0.615  1.0
  Se  Se11  1  0.385  0.385  0.385  1.0
[/CIF]
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The material described by RhPSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Rh(1) is bonded to three equivalent P(1) and three equivalent Se(1) atoms to form RhP3Se3 octahedra that share corners with twelve equivalent Rh(1)P3Se3 octahedra, corners with three equivalent P(1)Rh3Se tetrahedra, and corners with three equivalent Se(1)PRh3 tetrahedra. The corner-sharing octahedral tilt angles range from 64-65°. P(1) is bonded to three equivalent Rh(1) and one Se(1) atom to form PRh3Se tetrahedra that share corners with three equivalent Rh(1)P3Se3 octahedra, corners with six equivalent P(1)Rh3Se tetrahedra, and corners with nine equivalent Se(1)PRh3 tetrahedra. The corner-sharing octahedral tilt angles are 77°. Se(1) is bonded to three equivalent Rh(1) and one P(1) atom to form SePRh3 tetrahedra that share corners with three equivalent Rh(1)P3Se3 octahedra, corners with six equivalent Se(1)PRh3 tetrahedra, and corners with nine equivalent P(1)Rh3Se tetrahedra. The corner-sharing octahedral tilt angles are 78°. is represented by the CIF card [CIF]
data_PRhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.826
_cell_length_b   5.826
_cell_length_c   5.826
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.732
_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
  P  P0  1  0.886  0.386  0.114  1.0
  P  P1  1  0.386  0.114  0.886  1.0
  P  P2  1  0.114  0.886  0.386  1.0
  P  P3  1  0.614  0.614  0.614  1.0
  Rh  Rh4  1  0.486  0.986  0.514  1.0
  Rh  Rh5  1  0.986  0.514  0.486  1.0
  Rh  Rh6  1  0.514  0.486  0.986  1.0
  Rh  Rh7  1  0.014  0.014  0.014  1.0
  Se  Se8  1  0.115  0.615  0.885  1.0
  Se  Se9  1  0.615  0.885  0.115  1.0
  Se  Se10  1  0.885  0.115  0.615  1.0
  Se  Se11  1  0.385  0.385  0.385  1.0
[/CIF]
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