The material described by Ca(CrS2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Ca(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CaS6 octahedra that share corners with six equivalent Cr(1)S4 tetrahedra, edges with two equivalent Ca(1)S6 octahedra, and edges with four equivalent Cr(2)S6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CrS4 tetrahedra that share corners with six equivalent Ca(1)S6 octahedra and corners with six equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-65°. In the second Cr site, Cr(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Cr(1)S4 tetrahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with four equivalent Ca(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 Ca(1), one Cr(1), and two equivalent Cr(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1), one Cr(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_Ca(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.376
_cell_length_b   7.376
_cell_length_c   7.376
_cell_angle_alpha   120.467
_cell_angle_beta   119.205
_cell_angle_gamma   90.287
_symmetry_Int_Tables_number   1
_cell_volume   284.442
_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
  Ca  Ca0  1  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.500  0.500  1.0
  Cr  Cr2  1  0.877  0.127  0.750  1.0
  Cr  Cr3  1  0.123  0.873  0.250  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  Cr  Cr5  1  0.500  0.000  0.000  1.0
  S  S6  1  0.288  0.763  0.525  1.0
  S  S7  1  0.739  0.763  0.975  1.0
  S  S8  1  0.266  0.783  0.017  1.0
  S  S9  1  0.712  0.237  0.475  1.0
  S  S10  1  0.734  0.752  0.517  1.0
  S  S11  1  0.261  0.237  0.025  1.0
  S  S12  1  0.266  0.248  0.483  1.0
  S  S13  1  0.734  0.217  0.983  1.0
[/CIF]
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The material described by Ca(CrS2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Ca(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CaS6 octahedra that share corners with six equivalent Cr(1)S4 tetrahedra, edges with two equivalent Ca(1)S6 octahedra, and edges with four equivalent Cr(2)S6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CrS4 tetrahedra that share corners with six equivalent Ca(1)S6 octahedra and corners with six equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-65°. In the second Cr site, Cr(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Cr(1)S4 tetrahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with four equivalent Ca(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 Ca(1), one Cr(1), and two equivalent Cr(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1), one Cr(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_Ca(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.376
_cell_length_b   7.376
_cell_length_c   7.376
_cell_angle_alpha   120.467
_cell_angle_beta   119.205
_cell_angle_gamma   90.287
_symmetry_Int_Tables_number   1
_cell_volume   284.442
_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
  Ca  Ca0  1  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.500  0.500  1.0
  Cr  Cr2  1  0.877  0.127  0.750  1.0
  Cr  Cr3  1  0.123  0.873  0.250  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  Cr  Cr5  1  0.500  0.000  0.000  1.0
  S  S6  1  0.288  0.763  0.525  1.0
  S  S7  1  0.739  0.763  0.975  1.0
  S  S8  1  0.266  0.783  0.017  1.0
  S  S9  1  0.712  0.237  0.475  1.0
  S  S10  1  0.734  0.752  0.517  1.0
  S  S11  1  0.261  0.237  0.025  1.0
  S  S12  1  0.266  0.248  0.483  1.0
  S  S13  1  0.734  0.217  0.983  1.0
[/CIF]
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