The material structure described by Li(CrS2)2 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted LiS4 tetrahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with four equivalent Cr(2)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-72°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with four equivalent Cr(2)S6 octahedra, corners with two equivalent Li(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Li(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second Cr site, Cr(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form CrS6 octahedra that share corners with four equivalent Cr(1)S6 octahedra, corners with four equivalent Cr(2)S6 octahedra, corners with four equivalent Li(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and  an edgeedge with one Li(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted 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 one Li(1), one Cr(2), and two equivalent Cr(1) atoms. In the third S site, S(3) is bonded to one Li(1), one Cr(2), and two equivalent Cr(1) atoms to form distorted corner-sharing SLiCr3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.778
_cell_length_b   6.871
_cell_length_c   11.904
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   472.585
_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
  Li  Li0  1  0.910  0.250  0.092  1.0
  Li  Li1  1  0.090  0.750  0.908  1.0
  Li  Li2  1  0.410  0.750  0.408  1.0
  Li  Li3  1  0.590  0.250  0.592  1.0
  Cr  Cr4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.500  0.000  1.0
  Cr  Cr8  1  0.014  0.750  0.241  1.0
  Cr  Cr9  1  0.986  0.250  0.759  1.0
  Cr  Cr10  1  0.514  0.250  0.259  1.0
  Cr  Cr11  1  0.486  0.750  0.741  1.0
  S  S12  1  0.718  0.989  0.172  1.0
  S  S13  1  0.282  0.011  0.828  1.0
  S  S14  1  0.218  0.011  0.328  1.0
  S  S15  1  0.782  0.989  0.672  1.0
  S  S16  1  0.782  0.511  0.672  1.0
  S  S17  1  0.218  0.489  0.328  1.0
  S  S18  1  0.282  0.489  0.828  1.0
  S  S19  1  0.718  0.511  0.172  1.0
  S  S20  1  0.262  0.750  0.083  1.0
  S  S21  1  0.738  0.250  0.917  1.0
  S  S22  1  0.762  0.250  0.417  1.0
  S  S23  1  0.238  0.750  0.583  1.0
  S  S24  1  0.303  0.250  0.089  1.0
  S  S25  1  0.697  0.750  0.911  1.0
  S  S26  1  0.803  0.750  0.411  1.0
  S  S27  1  0.197  0.250  0.589  1.0
[/CIF]
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The material structure described by Li(CrS2)2 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted LiS4 tetrahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with four equivalent Cr(2)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-72°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with four equivalent Cr(2)S6 octahedra, corners with two equivalent Li(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Li(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second Cr site, Cr(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form CrS6 octahedra that share corners with four equivalent Cr(1)S6 octahedra, corners with four equivalent Cr(2)S6 octahedra, corners with four equivalent Li(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and  an edgeedge with one Li(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted 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 one Li(1), one Cr(2), and two equivalent Cr(1) atoms. In the third S site, S(3) is bonded to one Li(1), one Cr(2), and two equivalent Cr(1) atoms to form distorted corner-sharing SLiCr3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.778
_cell_length_b   6.871
_cell_length_c   11.904
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   472.585
_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
  Li  Li0  1  0.910  0.250  0.092  1.0
  Li  Li1  1  0.090  0.750  0.908  1.0
  Li  Li2  1  0.410  0.750  0.408  1.0
  Li  Li3  1  0.590  0.250  0.592  1.0
  Cr  Cr4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.500  0.000  1.0
  Cr  Cr8  1  0.014  0.750  0.241  1.0
  Cr  Cr9  1  0.986  0.250  0.759  1.0
  Cr  Cr10  1  0.514  0.250  0.259  1.0
  Cr  Cr11  1  0.486  0.750  0.741  1.0
  S  S12  1  0.718  0.989  0.172  1.0
  S  S13  1  0.282  0.011  0.828  1.0
  S  S14  1  0.218  0.011  0.328  1.0
  S  S15  1  0.782  0.989  0.672  1.0
  S  S16  1  0.782  0.511  0.672  1.0
  S  S17  1  0.218  0.489  0.328  1.0
  S  S18  1  0.282  0.489  0.828  1.0
  S  S19  1  0.718  0.511  0.172  1.0
  S  S20  1  0.262  0.750  0.083  1.0
  S  S21  1  0.738  0.250  0.917  1.0
  S  S22  1  0.762  0.250  0.417  1.0
  S  S23  1  0.238  0.750  0.583  1.0
  S  S24  1  0.303  0.250  0.089  1.0
  S  S25  1  0.697  0.750  0.911  1.0
  S  S26  1  0.803  0.750  0.411  1.0
  S  S27  1  0.197  0.250  0.589  1.0
[/CIF]
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