The crystal structure described by Cr(InS2)2 is Spinel-like 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 In(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent In(2)S6 octahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form InS4 tetrahedra that share corners with six equivalent Cr(1)S6 octahedra and corners with six equivalent In(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the second In site, In(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form InS6 octahedra that share corners with six equivalent In(1)S4 tetrahedra, edges with two equivalent In(2)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 In(1), and two equivalent In(2) atoms. In the second S site, S(2) is bonded to two equivalent Cr(1), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing SCr2In2 trigonal pyramids. is represented by the CIF file [CIF]
data_Cr(InS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.601
_cell_length_b   7.601
_cell_length_c   7.601
_cell_angle_alpha   120.902
_cell_angle_beta   118.625
_cell_angle_gamma   90.421
_symmetry_Int_Tables_number   1
_cell_volume   311.442
_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  0.616  0.866  0.750  1.0
  In  In3  1  0.384  0.134  0.250  1.0
  In  In4  1  0.500  0.500  0.000  1.0
  In  In5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.228  0.240  0.512  1.0
  S  S7  1  0.228  0.716  0.988  1.0
  S  S8  1  0.213  0.254  0.959  1.0
  S  S9  1  0.796  0.254  0.541  1.0
  S  S10  1  0.204  0.746  0.459  1.0
  S  S11  1  0.787  0.746  0.041  1.0
  S  S12  1  0.772  0.284  0.012  1.0
  S  S13  1  0.772  0.760  0.488  1.0
[/CIF]
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The crystal structure described by Cr(InS2)2 is Spinel-like 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 In(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent In(2)S6 octahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form InS4 tetrahedra that share corners with six equivalent Cr(1)S6 octahedra and corners with six equivalent In(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the second In site, In(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form InS6 octahedra that share corners with six equivalent In(1)S4 tetrahedra, edges with two equivalent In(2)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 In(1), and two equivalent In(2) atoms. In the second S site, S(2) is bonded to two equivalent Cr(1), one In(1), and one In(2) atom to form a mixture of distorted edge and corner-sharing SCr2In2 trigonal pyramids. is represented by the CIF file [CIF]
data_Cr(InS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.601
_cell_length_b   7.601
_cell_length_c   7.601
_cell_angle_alpha   120.902
_cell_angle_beta   118.625
_cell_angle_gamma   90.421
_symmetry_Int_Tables_number   1
_cell_volume   311.442
_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  0.616  0.866  0.750  1.0
  In  In3  1  0.384  0.134  0.250  1.0
  In  In4  1  0.500  0.500  0.000  1.0
  In  In5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.228  0.240  0.512  1.0
  S  S7  1  0.228  0.716  0.988  1.0
  S  S8  1  0.213  0.254  0.959  1.0
  S  S9  1  0.796  0.254  0.541  1.0
  S  S10  1  0.204  0.746  0.459  1.0
  S  S11  1  0.787  0.746  0.041  1.0
  S  S12  1  0.772  0.284  0.012  1.0
  S  S13  1  0.772  0.760  0.488  1.0
[/CIF]
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