The material described by Li(CrS2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LiS6 octahedra that share corners with six equivalent Cr(1)S4 tetrahedra, edges with two equivalent Li(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 Li(1)S6 octahedra and corners with six equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. 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 Li(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 Li(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 Li(1), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_Li(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.077
_cell_length_b   7.077
_cell_length_c   7.077
_cell_angle_alpha   119.998
_cell_angle_beta   119.824
_cell_angle_gamma   90.155
_symmetry_Int_Tables_number   1
_cell_volume   251.017
_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
  Li  Li0  1  0.000  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Cr  Cr2  1  0.377  0.627  0.750  1.0
  Cr  Cr3  1  0.623  0.373  0.250  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.749  0.232  0.983  1.0
  S  S7  1  0.749  0.766  0.517  1.0
  S  S8  1  0.735  0.241  0.494  1.0
  S  S9  1  0.251  0.768  0.017  1.0
  S  S10  1  0.754  0.759  0.994  1.0
  S  S11  1  0.251  0.234  0.483  1.0
  S  S12  1  0.246  0.241  0.006  1.0
  S  S13  1  0.265  0.759  0.506  1.0
[/CIF]
.
The material described by Li(CrS2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LiS6 octahedra that share corners with six equivalent Cr(1)S4 tetrahedra, edges with two equivalent Li(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 Li(1)S6 octahedra and corners with six equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. 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 Li(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 Li(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 Li(1), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_Li(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.077
_cell_length_b   7.077
_cell_length_c   7.077
_cell_angle_alpha   119.998
_cell_angle_beta   119.824
_cell_angle_gamma   90.155
_symmetry_Int_Tables_number   1
_cell_volume   251.017
_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
  Li  Li0  1  0.000  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Cr  Cr2  1  0.377  0.627  0.750  1.0
  Cr  Cr3  1  0.623  0.373  0.250  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.749  0.232  0.983  1.0
  S  S7  1  0.749  0.766  0.517  1.0
  S  S8  1  0.735  0.241  0.494  1.0
  S  S9  1  0.251  0.768  0.017  1.0
  S  S10  1  0.754  0.759  0.994  1.0
  S  S11  1  0.251  0.234  0.483  1.0
  S  S12  1  0.246  0.241  0.006  1.0
  S  S13  1  0.265  0.759  0.506  1.0
[/CIF]
.