The material described by RhCoS4 is Pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. Rh(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form RhS6 octahedra that share corners with four equivalent Rh(1)S6 octahedra, corners with eight equivalent Co(1)S6 octahedra, corners with two equivalent S(2)Co2RhS tetrahedra, and corners with four equivalent S(1)CoRh2S tetrahedra. The corner-sharing octahedral tilt angles range from 65-67°. Co(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with four equivalent Co(1)S6 octahedra, corners with eight equivalent Rh(1)S6 octahedra, corners with two equivalent S(1)CoRh2S tetrahedra, and corners with four equivalent S(2)Co2RhS tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Rh(1), one Co(1), and one S(1) atom to form distorted SCoRh2S tetrahedra that share  a cornercorner with one Co(1)S6 octahedra, corners with two equivalent Rh(1)S6 octahedra, corners with seven equivalent S(1)CoRh2S tetrahedra, and corners with eight equivalent S(2)Co2RhS tetrahedra. The corner-sharing octahedral tilt angles range from 74-77°. In the second S site, S(2) is bonded to one Rh(1), two equivalent Co(1), and one S(2) atom to form distorted SCo2RhS tetrahedra that share  a cornercorner with one Rh(1)S6 octahedra, corners with two equivalent Co(1)S6 octahedra, corners with seven equivalent S(2)Co2RhS tetrahedra, and corners with eight equivalent S(1)CoRh2S tetrahedra. The corner-sharing octahedral tilt angles range from 75-77°. is represented by the CIF card [CIF]
data_CoRhS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.639
_cell_length_b   5.643
_cell_length_c   5.667
_cell_angle_alpha   90.053
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.361
_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
  Co  Co0  1  0.500  0.000  0.500  1.0
  Co  Co1  1  0.000  0.500  0.500  1.0
  Rh  Rh2  1  0.500  0.500  0.000  1.0
  Rh  Rh3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.893  0.606  0.888  1.0
  S  S5  1  0.393  0.894  0.112  1.0
  S  S6  1  0.108  0.109  0.603  1.0
  S  S7  1  0.608  0.391  0.397  1.0
  S  S8  1  0.107  0.394  0.112  1.0
  S  S9  1  0.607  0.106  0.888  1.0
  S  S10  1  0.892  0.891  0.397  1.0
  S  S11  1  0.392  0.609  0.603  1.0
[/CIF]
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The material described by RhCoS4 is Pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. Rh(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form RhS6 octahedra that share corners with four equivalent Rh(1)S6 octahedra, corners with eight equivalent Co(1)S6 octahedra, corners with two equivalent S(2)Co2RhS tetrahedra, and corners with four equivalent S(1)CoRh2S tetrahedra. The corner-sharing octahedral tilt angles range from 65-67°. Co(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with four equivalent Co(1)S6 octahedra, corners with eight equivalent Rh(1)S6 octahedra, corners with two equivalent S(1)CoRh2S tetrahedra, and corners with four equivalent S(2)Co2RhS tetrahedra. The corner-sharing octahedral tilt angles range from 65-66°. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Rh(1), one Co(1), and one S(1) atom to form distorted SCoRh2S tetrahedra that share  a cornercorner with one Co(1)S6 octahedra, corners with two equivalent Rh(1)S6 octahedra, corners with seven equivalent S(1)CoRh2S tetrahedra, and corners with eight equivalent S(2)Co2RhS tetrahedra. The corner-sharing octahedral tilt angles range from 74-77°. In the second S site, S(2) is bonded to one Rh(1), two equivalent Co(1), and one S(2) atom to form distorted SCo2RhS tetrahedra that share  a cornercorner with one Rh(1)S6 octahedra, corners with two equivalent Co(1)S6 octahedra, corners with seven equivalent S(2)Co2RhS tetrahedra, and corners with eight equivalent S(1)CoRh2S tetrahedra. The corner-sharing octahedral tilt angles range from 75-77°. is represented by the CIF card [CIF]
data_CoRhS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.639
_cell_length_b   5.643
_cell_length_c   5.667
_cell_angle_alpha   90.053
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.361
_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
  Co  Co0  1  0.500  0.000  0.500  1.0
  Co  Co1  1  0.000  0.500  0.500  1.0
  Rh  Rh2  1  0.500  0.500  0.000  1.0
  Rh  Rh3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.893  0.606  0.888  1.0
  S  S5  1  0.393  0.894  0.112  1.0
  S  S6  1  0.108  0.109  0.603  1.0
  S  S7  1  0.608  0.391  0.397  1.0
  S  S8  1  0.107  0.394  0.112  1.0
  S  S9  1  0.607  0.106  0.888  1.0
  S  S10  1  0.892  0.891  0.397  1.0
  S  S11  1  0.392  0.609  0.603  1.0
[/CIF]
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