The structure described by Li(CrS2)2 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form distorted LiS6 pentagonal pyramids that share corners with six equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent S(3) and four equivalent S(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form CrS6 octahedra that share corners with three equivalent Li(1)S6 pentagonal pyramids, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Cr(2)S6 octahedra, and  an edgeedge with one Li(1)S6 pentagonal pyramid. In the second Cr site, Cr(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CrS6 octahedra that share edges with two equivalent Cr(2)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and edges with two equivalent Li(1)S6 pentagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of corner and edge-sharing SLi2Cr3 trigonal bipyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), and two equivalent Cr(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), and two equivalent Cr(2) atoms. is represented by the CIF card [CIF]
data_Li(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.889
_cell_length_b   6.794
_cell_length_c   12.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.921
_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  0.339  0.000  0.000  1.0
  Li  Li1  1  0.661  0.500  0.500  1.0
  Li  Li2  1  0.018  0.000  0.500  1.0
  Li  Li3  1  0.982  0.500  0.000  1.0
  Cr  Cr4  1  0.993  0.000  0.247  1.0
  Cr  Cr5  1  0.993  0.000  0.753  1.0
  Cr  Cr6  1  0.007  0.500  0.253  1.0
  Cr  Cr7  1  0.007  0.500  0.747  1.0
  Cr  Cr8  1  0.500  0.250  0.250  1.0
  Cr  Cr9  1  0.500  0.750  0.750  1.0
  Cr  Cr10  1  0.500  0.750  0.250  1.0
  Cr  Cr11  1  0.500  0.250  0.750  1.0
  S  S12  1  0.834  0.251  0.357  1.0
  S  S13  1  0.834  0.749  0.643  1.0
  S  S14  1  0.166  0.751  0.143  1.0
  S  S15  1  0.166  0.249  0.857  1.0
  S  S16  1  0.166  0.249  0.143  1.0
  S  S17  1  0.166  0.751  0.857  1.0
  S  S18  1  0.834  0.749  0.357  1.0
  S  S19  1  0.834  0.251  0.643  1.0
  S  S20  1  0.662  0.000  0.143  1.0
  S  S21  1  0.662  0.000  0.857  1.0
  S  S22  1  0.338  0.500  0.357  1.0
  S  S23  1  0.338  0.500  0.643  1.0
  S  S24  1  0.328  0.000  0.354  1.0
  S  S25  1  0.328  0.000  0.646  1.0
  S  S26  1  0.672  0.500  0.146  1.0
  S  S27  1  0.672  0.500  0.854  1.0
[/CIF]
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The structure described by Li(CrS2)2 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form distorted LiS6 pentagonal pyramids that share corners with six equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent S(3) and four equivalent S(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form CrS6 octahedra that share corners with three equivalent Li(1)S6 pentagonal pyramids, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Cr(2)S6 octahedra, and  an edgeedge with one Li(1)S6 pentagonal pyramid. In the second Cr site, Cr(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CrS6 octahedra that share edges with two equivalent Cr(2)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and edges with two equivalent Li(1)S6 pentagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of corner and edge-sharing SLi2Cr3 trigonal bipyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), and two equivalent Cr(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), and two equivalent Cr(2) atoms. is represented by the CIF card [CIF]
data_Li(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.889
_cell_length_b   6.794
_cell_length_c   12.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.921
_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  0.339  0.000  0.000  1.0
  Li  Li1  1  0.661  0.500  0.500  1.0
  Li  Li2  1  0.018  0.000  0.500  1.0
  Li  Li3  1  0.982  0.500  0.000  1.0
  Cr  Cr4  1  0.993  0.000  0.247  1.0
  Cr  Cr5  1  0.993  0.000  0.753  1.0
  Cr  Cr6  1  0.007  0.500  0.253  1.0
  Cr  Cr7  1  0.007  0.500  0.747  1.0
  Cr  Cr8  1  0.500  0.250  0.250  1.0
  Cr  Cr9  1  0.500  0.750  0.750  1.0
  Cr  Cr10  1  0.500  0.750  0.250  1.0
  Cr  Cr11  1  0.500  0.250  0.750  1.0
  S  S12  1  0.834  0.251  0.357  1.0
  S  S13  1  0.834  0.749  0.643  1.0
  S  S14  1  0.166  0.751  0.143  1.0
  S  S15  1  0.166  0.249  0.857  1.0
  S  S16  1  0.166  0.249  0.143  1.0
  S  S17  1  0.166  0.751  0.857  1.0
  S  S18  1  0.834  0.749  0.357  1.0
  S  S19  1  0.834  0.251  0.643  1.0
  S  S20  1  0.662  0.000  0.143  1.0
  S  S21  1  0.662  0.000  0.857  1.0
  S  S22  1  0.338  0.500  0.357  1.0
  S  S23  1  0.338  0.500  0.643  1.0
  S  S24  1  0.328  0.000  0.354  1.0
  S  S25  1  0.328  0.000  0.646  1.0
  S  S26  1  0.672  0.500  0.146  1.0
  S  S27  1  0.672  0.500  0.854  1.0
[/CIF]
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