The compound described by URhS3 crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Rh(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form corner-sharing RhS6 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent U(1) and two equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing SU3Rh2 trigonal bipyramids. In the second S site, S(2) is bonded in a see-saw-like geometry to two equivalent U(1) and two equivalent Rh(1) atoms. is represented by the CIF file [CIF]
data_URhS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.083
_cell_length_b   7.106
_cell_length_c   8.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   365.338
_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
  U  U0  1  0.434  0.125  0.750  1.0
  U  U1  1  0.934  0.375  0.250  1.0
  U  U2  1  0.566  0.875  0.250  1.0
  U  U3  1  0.066  0.625  0.750  1.0
  Rh  Rh4  1  0.500  0.500  0.000  1.0
  Rh  Rh5  1  0.000  0.000  0.000  1.0
  Rh  Rh6  1  0.000  0.000  0.500  1.0
  Rh  Rh7  1  0.500  0.500  0.500  1.0
  S  S8  1  0.657  0.179  0.054  1.0
  S  S9  1  0.843  0.679  0.446  1.0
  S  S10  1  0.843  0.679  0.054  1.0
  S  S11  1  0.165  0.057  0.250  1.0
  S  S12  1  0.157  0.321  0.554  1.0
  S  S13  1  0.335  0.557  0.250  1.0
  S  S14  1  0.835  0.943  0.750  1.0
  S  S15  1  0.157  0.321  0.946  1.0
  S  S16  1  0.343  0.821  0.946  1.0
  S  S17  1  0.657  0.179  0.446  1.0
  S  S18  1  0.665  0.443  0.750  1.0
  S  S19  1  0.343  0.821  0.554  1.0
[/CIF]
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The compound described by URhS3 crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Rh(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form corner-sharing RhS6 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent U(1) and two equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing SU3Rh2 trigonal bipyramids. In the second S site, S(2) is bonded in a see-saw-like geometry to two equivalent U(1) and two equivalent Rh(1) atoms. is represented by the CIF file [CIF]
data_URhS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.083
_cell_length_b   7.106
_cell_length_c   8.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   365.338
_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
  U  U0  1  0.434  0.125  0.750  1.0
  U  U1  1  0.934  0.375  0.250  1.0
  U  U2  1  0.566  0.875  0.250  1.0
  U  U3  1  0.066  0.625  0.750  1.0
  Rh  Rh4  1  0.500  0.500  0.000  1.0
  Rh  Rh5  1  0.000  0.000  0.000  1.0
  Rh  Rh6  1  0.000  0.000  0.500  1.0
  Rh  Rh7  1  0.500  0.500  0.500  1.0
  S  S8  1  0.657  0.179  0.054  1.0
  S  S9  1  0.843  0.679  0.446  1.0
  S  S10  1  0.843  0.679  0.054  1.0
  S  S11  1  0.165  0.057  0.250  1.0
  S  S12  1  0.157  0.321  0.554  1.0
  S  S13  1  0.335  0.557  0.250  1.0
  S  S14  1  0.835  0.943  0.750  1.0
  S  S15  1  0.157  0.321  0.946  1.0
  S  S16  1  0.343  0.821  0.946  1.0
  S  S17  1  0.657  0.179  0.446  1.0
  S  S18  1  0.665  0.443  0.750  1.0
  S  S19  1  0.343  0.821  0.554  1.0
[/CIF]
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