The compound described by CoInCrS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Co(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent In(1)S6 octahedra. Co(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CoS4 tetrahedra that share corners with six equivalent Cr(1)S6 octahedra and corners with six equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. In(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form InS6 octahedra that share corners with six equivalent Co(1)S4 tetrahedra, edges with two equivalent In(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 in a rectangular see-saw-like geometry to two equivalent Cr(1), one Co(1), and one In(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Co(1), and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_CrInCoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.276
_cell_length_b   7.276
_cell_length_c   7.276
_cell_angle_alpha   120.447
_cell_angle_beta   119.738
_cell_angle_gamma   89.841
_symmetry_Int_Tables_number   1
_cell_volume   271.929
_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  0.000  0.500  1.0
  Cr  Cr1  1  0.000  0.500  0.000  1.0
  In  In2  1  0.500  0.000  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  Co  Co4  1  0.624  0.374  0.250  1.0
  Co  Co5  1  0.376  0.626  0.750  1.0
  S  S6  1  0.233  0.254  0.979  1.0
  S  S7  1  0.776  0.254  0.521  1.0
  S  S8  1  0.763  0.268  0.005  1.0
  S  S9  1  0.763  0.758  0.495  1.0
  S  S10  1  0.767  0.746  0.021  1.0
  S  S11  1  0.224  0.746  0.479  1.0
  S  S12  1  0.237  0.732  0.995  1.0
  S  S13  1  0.237  0.242  0.505  1.0
[/CIF]
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The compound described by CoInCrS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Co(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent In(1)S6 octahedra. Co(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CoS4 tetrahedra that share corners with six equivalent Cr(1)S6 octahedra and corners with six equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. In(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form InS6 octahedra that share corners with six equivalent Co(1)S4 tetrahedra, edges with two equivalent In(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 in a rectangular see-saw-like geometry to two equivalent Cr(1), one Co(1), and one In(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Co(1), and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_CrInCoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.276
_cell_length_b   7.276
_cell_length_c   7.276
_cell_angle_alpha   120.447
_cell_angle_beta   119.738
_cell_angle_gamma   89.841
_symmetry_Int_Tables_number   1
_cell_volume   271.929
_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  0.000  0.500  1.0
  Cr  Cr1  1  0.000  0.500  0.000  1.0
  In  In2  1  0.500  0.000  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  Co  Co4  1  0.624  0.374  0.250  1.0
  Co  Co5  1  0.376  0.626  0.750  1.0
  S  S6  1  0.233  0.254  0.979  1.0
  S  S7  1  0.776  0.254  0.521  1.0
  S  S8  1  0.763  0.268  0.005  1.0
  S  S9  1  0.763  0.758  0.495  1.0
  S  S10  1  0.767  0.746  0.021  1.0
  S  S11  1  0.224  0.746  0.479  1.0
  S  S12  1  0.237  0.732  0.995  1.0
  S  S13  1  0.237  0.242  0.505  1.0
[/CIF]
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