The material structure described by NiInCrS4 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 Ni(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent In(1)S6 octahedra. Ni(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form NiS4 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 49-63°. In(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form InS6 octahedra that share corners with six equivalent Ni(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 one Cr(1), one Ni(1), and two equivalent In(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(1), one Ni(1), and one In(1) atom. is represented by the CIF file [CIF]
data_CrInNiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.210
_cell_length_b   7.210
_cell_length_c   7.210
_cell_angle_alpha   120.952
_cell_angle_beta   119.232
_cell_angle_gamma   89.847
_symmetry_Int_Tables_number   1
_cell_volume   264.584
_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  0.000  0.000  0.000  1.0
  In  In3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.379  0.629  0.750  1.0
  Ni  Ni5  1  0.621  0.371  0.250  1.0
  S  S6  1  0.237  0.729  0.992  1.0
  S  S7  1  0.237  0.245  0.508  1.0
  S  S8  1  0.219  0.741  0.478  1.0
  S  S9  1  0.763  0.741  0.022  1.0
  S  S10  1  0.763  0.271  0.008  1.0
  S  S11  1  0.763  0.755  0.492  1.0
  S  S12  1  0.781  0.259  0.522  1.0
  S  S13  1  0.237  0.259  0.978  1.0
[/CIF]
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The material structure described by NiInCrS4 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 Ni(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent In(1)S6 octahedra. Ni(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form NiS4 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 49-63°. In(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form InS6 octahedra that share corners with six equivalent Ni(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 one Cr(1), one Ni(1), and two equivalent In(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(1), one Ni(1), and one In(1) atom. is represented by the CIF file [CIF]
data_CrInNiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.210
_cell_length_b   7.210
_cell_length_c   7.210
_cell_angle_alpha   120.952
_cell_angle_beta   119.232
_cell_angle_gamma   89.847
_symmetry_Int_Tables_number   1
_cell_volume   264.584
_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  0.000  0.000  0.000  1.0
  In  In3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.379  0.629  0.750  1.0
  Ni  Ni5  1  0.621  0.371  0.250  1.0
  S  S6  1  0.237  0.729  0.992  1.0
  S  S7  1  0.237  0.245  0.508  1.0
  S  S8  1  0.219  0.741  0.478  1.0
  S  S9  1  0.763  0.741  0.022  1.0
  S  S10  1  0.763  0.271  0.008  1.0
  S  S11  1  0.763  0.755  0.492  1.0
  S  S12  1  0.781  0.259  0.522  1.0
  S  S13  1  0.237  0.259  0.978  1.0
[/CIF]
.