The material described by Rh3Se8 crystallizes in the trigonal R-3 space group. Rh(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form RhSe6 octahedra that share corners with eight equivalent Rh(1)Se6 octahedra and corners with two equivalent Se(2)Rh3Se tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rh(1) and one Se(1) atom. In the second Se site, Se(2) is bonded to three equivalent Rh(1) and one Se(2) atom to form distorted SeRh3Se tetrahedra that share corners with three equivalent Rh(1)Se6 octahedra and corners with three equivalent Se(2)Rh3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rh3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.023
_cell_length_b   6.023
_cell_length_c   6.023
_cell_angle_alpha   90.747
_cell_angle_beta   90.747
_cell_angle_gamma   90.747
_symmetry_Int_Tables_number   1
_cell_volume   218.403
_cell_formula_units_Z   1
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
  Rh  Rh0  1  0.500  0.000  0.500  1.0
  Rh  Rh1  1  0.000  0.500  0.500  1.0
  Rh  Rh2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.882  0.386  0.113  1.0
  Se  Se4  1  0.386  0.113  0.882  1.0
  Se  Se5  1  0.113  0.882  0.386  1.0
  Se  Se6  1  0.380  0.380  0.380  1.0
  Se  Se7  1  0.620  0.620  0.620  1.0
  Se  Se8  1  0.887  0.118  0.614  1.0
  Se  Se9  1  0.614  0.887  0.118  1.0
  Se  Se10  1  0.118  0.614  0.887  1.0
[/CIF]
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The material described by Rh3Se8 crystallizes in the trigonal R-3 space group. Rh(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form RhSe6 octahedra that share corners with eight equivalent Rh(1)Se6 octahedra and corners with two equivalent Se(2)Rh3Se tetrahedra. The corner-sharing octahedral tilt angles range from 63-65°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rh(1) and one Se(1) atom. In the second Se site, Se(2) is bonded to three equivalent Rh(1) and one Se(2) atom to form distorted SeRh3Se tetrahedra that share corners with three equivalent Rh(1)Se6 octahedra and corners with three equivalent Se(2)Rh3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rh3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.023
_cell_length_b   6.023
_cell_length_c   6.023
_cell_angle_alpha   90.747
_cell_angle_beta   90.747
_cell_angle_gamma   90.747
_symmetry_Int_Tables_number   1
_cell_volume   218.403
_cell_formula_units_Z   1
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
  Rh  Rh0  1  0.500  0.000  0.500  1.0
  Rh  Rh1  1  0.000  0.500  0.500  1.0
  Rh  Rh2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.882  0.386  0.113  1.0
  Se  Se4  1  0.386  0.113  0.882  1.0
  Se  Se5  1  0.113  0.882  0.386  1.0
  Se  Se6  1  0.380  0.380  0.380  1.0
  Se  Se7  1  0.620  0.620  0.620  1.0
  Se  Se8  1  0.887  0.118  0.614  1.0
  Se  Se9  1  0.614  0.887  0.118  1.0
  Se  Se10  1  0.118  0.614  0.887  1.0
[/CIF]
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