The crystal structure described by Li(CrS2)2 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent S(3), two equivalent S(4), and three equivalent S(1) atoms to form distorted LiS7 pentagonal bipyramids that share corners with four equivalent Cr(1)S6 octahedra, corners with four equivalent Cr(2)S6 octahedra,  an edgeedge with one Cr(1)S6 octahedra, edges with four equivalent Cr(2)S6 octahedra, edges with two equivalent Li(1)S7 pentagonal bipyramids, and faces with two equivalent Li(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 17-65°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Cr(2)S6 octahedra, corners with four equivalent Li(1)S7 pentagonal bipyramids, edges with two equivalent Cr(2)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and  an edgeedge with one Li(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 52-60°. In the second Cr site, Cr(2) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with three equivalent Cr(1)S6 octahedra, corners with four equivalent Li(1)S7 pentagonal bipyramids, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with four equivalent Li(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 52-60°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Li(1) and two equivalent Cr(2) atoms to form SLi3Cr2 square pyramids that share corners with two equivalent S(4)Li2Cr3 square pyramids, corners with six equivalent S(3)Li2Cr3 trigonal bipyramids, edges with three equivalent S(4)Li2Cr3 square pyramids, edges with four equivalent S(1)Li3Cr2 square pyramids, and edges with two equivalent S(3)Li2Cr3 trigonal bipyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Cr(2) and three equivalent Cr(1) atoms. In the third S site, S(3) is bonded to two equivalent Li(1), one Cr(1), and two equivalent Cr(2) atoms to form distorted SLi2Cr3 trigonal bipyramids that share corners with two equivalent S(4)Li2Cr3 square pyramids, corners with six equivalent S(1)Li3Cr2 square pyramids, edges with two equivalent S(1)Li3Cr2 square pyramids, edges with three equivalent S(4)Li2Cr3 square pyramids, and edges with two equivalent S(3)Li2Cr3 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Li(1), one Cr(2), and two equivalent Cr(1) atoms to form SLi2Cr3 square pyramids that share corners with two equivalent S(1)Li3Cr2 square pyramids, corners with two equivalent S(3)Li2Cr3 trigonal bipyramids, edges with two equivalent S(4)Li2Cr3 square pyramids, edges with three equivalent S(1)Li3Cr2 square pyramids, and edges with three equivalent S(3)Li2Cr3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.360
_cell_length_b   3.446
_cell_length_c   11.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   464.718
_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  0.130  0.750  0.418  1.0
  Li  Li1  1  0.870  0.250  0.582  1.0
  Li  Li2  1  0.370  0.250  0.918  1.0
  Li  Li3  1  0.630  0.750  0.082  1.0
  Cr  Cr4  1  0.110  0.250  0.080  1.0
  Cr  Cr5  1  0.890  0.750  0.920  1.0
  Cr  Cr6  1  0.390  0.750  0.580  1.0
  Cr  Cr7  1  0.610  0.250  0.420  1.0
  Cr  Cr8  1  0.144  0.250  0.704  1.0
  Cr  Cr9  1  0.856  0.750  0.296  1.0
  Cr  Cr10  1  0.356  0.750  0.204  1.0
  Cr  Cr11  1  0.644  0.250  0.796  1.0
  S  S12  1  0.035  0.750  0.624  1.0
  S  S13  1  0.965  0.250  0.376  1.0
  S  S14  1  0.465  0.250  0.124  1.0
  S  S15  1  0.535  0.750  0.876  1.0
  S  S16  1  0.032  0.250  0.882  1.0
  S  S17  1  0.968  0.750  0.118  1.0
  S  S18  1  0.468  0.750  0.382  1.0
  S  S19  1  0.532  0.250  0.618  1.0
  S  S20  1  0.216  0.250  0.252  1.0
  S  S21  1  0.784  0.750  0.748  1.0
  S  S22  1  0.284  0.750  0.752  1.0
  S  S23  1  0.716  0.250  0.248  1.0
  S  S24  1  0.242  0.750  0.032  1.0
  S  S25  1  0.758  0.250  0.968  1.0
  S  S26  1  0.258  0.250  0.532  1.0
  S  S27  1  0.742  0.750  0.468  1.0
[/CIF]
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The crystal structure described by Li(CrS2)2 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent S(3), two equivalent S(4), and three equivalent S(1) atoms to form distorted LiS7 pentagonal bipyramids that share corners with four equivalent Cr(1)S6 octahedra, corners with four equivalent Cr(2)S6 octahedra,  an edgeedge with one Cr(1)S6 octahedra, edges with four equivalent Cr(2)S6 octahedra, edges with two equivalent Li(1)S7 pentagonal bipyramids, and faces with two equivalent Li(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 17-65°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Cr(2)S6 octahedra, corners with four equivalent Li(1)S7 pentagonal bipyramids, edges with two equivalent Cr(2)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and  an edgeedge with one Li(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 52-60°. In the second Cr site, Cr(2) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with three equivalent Cr(1)S6 octahedra, corners with four equivalent Li(1)S7 pentagonal bipyramids, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with four equivalent Li(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 52-60°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Li(1) and two equivalent Cr(2) atoms to form SLi3Cr2 square pyramids that share corners with two equivalent S(4)Li2Cr3 square pyramids, corners with six equivalent S(3)Li2Cr3 trigonal bipyramids, edges with three equivalent S(4)Li2Cr3 square pyramids, edges with four equivalent S(1)Li3Cr2 square pyramids, and edges with two equivalent S(3)Li2Cr3 trigonal bipyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Cr(2) and three equivalent Cr(1) atoms. In the third S site, S(3) is bonded to two equivalent Li(1), one Cr(1), and two equivalent Cr(2) atoms to form distorted SLi2Cr3 trigonal bipyramids that share corners with two equivalent S(4)Li2Cr3 square pyramids, corners with six equivalent S(1)Li3Cr2 square pyramids, edges with two equivalent S(1)Li3Cr2 square pyramids, edges with three equivalent S(4)Li2Cr3 square pyramids, and edges with two equivalent S(3)Li2Cr3 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Li(1), one Cr(2), and two equivalent Cr(1) atoms to form SLi2Cr3 square pyramids that share corners with two equivalent S(1)Li3Cr2 square pyramids, corners with two equivalent S(3)Li2Cr3 trigonal bipyramids, edges with two equivalent S(4)Li2Cr3 square pyramids, edges with three equivalent S(1)Li3Cr2 square pyramids, and edges with three equivalent S(3)Li2Cr3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.360
_cell_length_b   3.446
_cell_length_c   11.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   464.718
_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  0.130  0.750  0.418  1.0
  Li  Li1  1  0.870  0.250  0.582  1.0
  Li  Li2  1  0.370  0.250  0.918  1.0
  Li  Li3  1  0.630  0.750  0.082  1.0
  Cr  Cr4  1  0.110  0.250  0.080  1.0
  Cr  Cr5  1  0.890  0.750  0.920  1.0
  Cr  Cr6  1  0.390  0.750  0.580  1.0
  Cr  Cr7  1  0.610  0.250  0.420  1.0
  Cr  Cr8  1  0.144  0.250  0.704  1.0
  Cr  Cr9  1  0.856  0.750  0.296  1.0
  Cr  Cr10  1  0.356  0.750  0.204  1.0
  Cr  Cr11  1  0.644  0.250  0.796  1.0
  S  S12  1  0.035  0.750  0.624  1.0
  S  S13  1  0.965  0.250  0.376  1.0
  S  S14  1  0.465  0.250  0.124  1.0
  S  S15  1  0.535  0.750  0.876  1.0
  S  S16  1  0.032  0.250  0.882  1.0
  S  S17  1  0.968  0.750  0.118  1.0
  S  S18  1  0.468  0.750  0.382  1.0
  S  S19  1  0.532  0.250  0.618  1.0
  S  S20  1  0.216  0.250  0.252  1.0
  S  S21  1  0.784  0.750  0.748  1.0
  S  S22  1  0.284  0.750  0.752  1.0
  S  S23  1  0.716  0.250  0.248  1.0
  S  S24  1  0.242  0.750  0.032  1.0
  S  S25  1  0.758  0.250  0.968  1.0
  S  S26  1  0.258  0.250  0.532  1.0
  S  S27  1  0.742  0.750  0.468  1.0
[/CIF]
.