The material structure described by Rh2S3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. Rh(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of face, corner, and edge-sharing RhS6 octahedra. The corner-sharing octahedral tilt angles range from 48-70°. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing SRh4 trigonal pyramids. In the second S site, S(2) is bonded to four equivalent Rh(1) atoms to form a mixture of corner and edge-sharing SRh4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rh2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.007
_cell_length_b   6.162
_cell_length_c   8.510
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.009
_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
  Rh  Rh0  1  0.751  0.032  0.394  1.0
  Rh  Rh1  1  0.751  0.468  0.606  1.0
  Rh  Rh2  1  0.749  0.532  0.106  1.0
  Rh  Rh3  1  0.749  0.968  0.894  1.0
  Rh  Rh4  1  0.249  0.968  0.606  1.0
  Rh  Rh5  1  0.249  0.532  0.394  1.0
  Rh  Rh6  1  0.251  0.468  0.894  1.0
  Rh  Rh7  1  0.251  0.032  0.106  1.0
  S  S8  1  0.452  0.250  0.500  1.0
  S  S9  1  0.048  0.750  0.000  1.0
  S  S10  1  0.548  0.750  0.500  1.0
  S  S11  1  0.952  0.250  0.000  1.0
  S  S12  1  0.891  0.393  0.349  1.0
  S  S13  1  0.891  0.107  0.651  1.0
  S  S14  1  0.609  0.893  0.151  1.0
  S  S15  1  0.609  0.607  0.849  1.0
  S  S16  1  0.391  0.393  0.151  1.0
  S  S17  1  0.391  0.107  0.849  1.0
  S  S18  1  0.109  0.893  0.349  1.0
  S  S19  1  0.109  0.607  0.651  1.0
[/CIF]
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The material structure described by Rh2S3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. Rh(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of face, corner, and edge-sharing RhS6 octahedra. The corner-sharing octahedral tilt angles range from 48-70°. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing SRh4 trigonal pyramids. In the second S site, S(2) is bonded to four equivalent Rh(1) atoms to form a mixture of corner and edge-sharing SRh4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rh2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.007
_cell_length_b   6.162
_cell_length_c   8.510
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.009
_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
  Rh  Rh0  1  0.751  0.032  0.394  1.0
  Rh  Rh1  1  0.751  0.468  0.606  1.0
  Rh  Rh2  1  0.749  0.532  0.106  1.0
  Rh  Rh3  1  0.749  0.968  0.894  1.0
  Rh  Rh4  1  0.249  0.968  0.606  1.0
  Rh  Rh5  1  0.249  0.532  0.394  1.0
  Rh  Rh6  1  0.251  0.468  0.894  1.0
  Rh  Rh7  1  0.251  0.032  0.106  1.0
  S  S8  1  0.452  0.250  0.500  1.0
  S  S9  1  0.048  0.750  0.000  1.0
  S  S10  1  0.548  0.750  0.500  1.0
  S  S11  1  0.952  0.250  0.000  1.0
  S  S12  1  0.891  0.393  0.349  1.0
  S  S13  1  0.891  0.107  0.651  1.0
  S  S14  1  0.609  0.893  0.151  1.0
  S  S15  1  0.609  0.607  0.849  1.0
  S  S16  1  0.391  0.393  0.151  1.0
  S  S17  1  0.391  0.107  0.849  1.0
  S  S18  1  0.109  0.893  0.349  1.0
  S  S19  1  0.109  0.607  0.651  1.0
[/CIF]
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