The material structure described by CrS2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form edge-sharing CrS6 octahedra. In the second Cr site, Cr(2) is bonded to six equivalent S(1) atoms to form edge-sharing CrS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.563
_cell_length_b   6.563
_cell_length_c   6.563
_cell_angle_alpha   62.711
_cell_angle_beta   62.711
_cell_angle_gamma   62.711
_symmetry_Int_Tables_number   1
_cell_volume   211.983
_cell_formula_units_Z   4
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  0.500  0.000  0.500  1.0
  Cr  Cr1  1  0.000  0.500  0.500  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.743  0.254  0.254  1.0
  S  S5  1  0.254  0.743  0.254  1.0
  S  S6  1  0.254  0.254  0.743  1.0
  S  S7  1  0.251  0.251  0.251  1.0
  S  S8  1  0.746  0.257  0.746  1.0
  S  S9  1  0.257  0.746  0.746  1.0
  S  S10  1  0.749  0.749  0.749  1.0
  S  S11  1  0.746  0.746  0.257  1.0
[/CIF]
.
The material structure described by CrS2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form edge-sharing CrS6 octahedra. In the second Cr site, Cr(2) is bonded to six equivalent S(1) atoms to form edge-sharing CrS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.563
_cell_length_b   6.563
_cell_length_c   6.563
_cell_angle_alpha   62.711
_cell_angle_beta   62.711
_cell_angle_gamma   62.711
_symmetry_Int_Tables_number   1
_cell_volume   211.983
_cell_formula_units_Z   4
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  0.500  0.000  0.500  1.0
  Cr  Cr1  1  0.000  0.500  0.500  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.743  0.254  0.254  1.0
  S  S5  1  0.254  0.743  0.254  1.0
  S  S6  1  0.254  0.254  0.743  1.0
  S  S7  1  0.251  0.251  0.251  1.0
  S  S8  1  0.746  0.257  0.746  1.0
  S  S9  1  0.257  0.746  0.746  1.0
  S  S10  1  0.749  0.749  0.749  1.0
  S  S11  1  0.746  0.746  0.257  1.0
[/CIF]
.