The material described by CrFeRhS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Fe(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Rh(1)S6 octahedra. Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form FeS4 tetrahedra that share corners with six equivalent Cr(1)S6 octahedra and corners with six equivalent Rh(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. Rh(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form RhS6 octahedra that share corners with six equivalent Fe(1)S4 tetrahedra, edges with two equivalent Rh(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Cr(1), one Fe(1), and two equivalent Rh(1) atoms to form a mixture of distorted edge and corner-sharing SCrFeRh2 trigonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cr(1), one Fe(1), and one Rh(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrFeRhS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.016
_cell_length_b   7.016
_cell_length_c   7.016
_cell_angle_alpha   120.385
_cell_angle_beta   119.342
_cell_angle_gamma   90.239
_symmetry_Int_Tables_number   1
_cell_volume   244.695
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.000  0.500  0.000  1.0
  Cr  Cr1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.375  0.125  0.250  1.0
  Fe  Fe3  1  0.625  0.875  0.750  1.0
  Rh  Rh4  1  0.500  0.500  0.000  1.0
  Rh  Rh5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.757  0.739  0.482  1.0
  S  S7  1  0.757  0.275  0.018  1.0
  S  S8  1  0.228  0.743  0.485  1.0
  S  S9  1  0.759  0.743  0.015  1.0
  S  S10  1  0.243  0.261  0.518  1.0
  S  S11  1  0.243  0.725  0.982  1.0
  S  S12  1  0.772  0.257  0.515  1.0
  S  S13  1  0.241  0.257  0.985  1.0
[/CIF]
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The material described by CrFeRhS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Fe(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Rh(1)S6 octahedra. Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form FeS4 tetrahedra that share corners with six equivalent Cr(1)S6 octahedra and corners with six equivalent Rh(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. Rh(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form RhS6 octahedra that share corners with six equivalent Fe(1)S4 tetrahedra, edges with two equivalent Rh(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Cr(1), one Fe(1), and two equivalent Rh(1) atoms to form a mixture of distorted edge and corner-sharing SCrFeRh2 trigonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cr(1), one Fe(1), and one Rh(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrFeRhS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.016
_cell_length_b   7.016
_cell_length_c   7.016
_cell_angle_alpha   120.385
_cell_angle_beta   119.342
_cell_angle_gamma   90.239
_symmetry_Int_Tables_number   1
_cell_volume   244.695
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.000  0.500  0.000  1.0
  Cr  Cr1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.375  0.125  0.250  1.0
  Fe  Fe3  1  0.625  0.875  0.750  1.0
  Rh  Rh4  1  0.500  0.500  0.000  1.0
  Rh  Rh5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.757  0.739  0.482  1.0
  S  S7  1  0.757  0.275  0.018  1.0
  S  S8  1  0.228  0.743  0.485  1.0
  S  S9  1  0.759  0.743  0.015  1.0
  S  S10  1  0.243  0.261  0.518  1.0
  S  S11  1  0.243  0.725  0.982  1.0
  S  S12  1  0.772  0.257  0.515  1.0
  S  S13  1  0.241  0.257  0.985  1.0
[/CIF]
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