The material structure described by Li(CrS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to four equivalent S(1) atoms to form LiS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. Cr(1) is bonded to six equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Li(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. S(1) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.017
_cell_length_b   7.017
_cell_length_c   7.017
_cell_angle_alpha   118.589
_cell_angle_beta   118.589
_cell_angle_gamma   92.461
_symmetry_Int_Tables_number   1
_cell_volume   249.248
_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  0.000  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  Cr  Cr2  1  0.875  0.625  0.250  1.0
  Cr  Cr3  1  0.375  0.125  0.750  1.0
  Cr  Cr4  1  0.375  0.625  0.750  1.0
  Cr  Cr5  1  0.375  0.625  0.250  1.0
  S  S6  1  0.599  0.378  0.221  1.0
  S  S7  1  0.622  0.401  0.779  1.0
  S  S8  1  0.157  0.378  0.779  1.0
  S  S9  1  0.622  0.843  0.221  1.0
  S  S10  1  0.151  0.872  0.279  1.0
  S  S11  1  0.128  0.407  0.279  1.0
  S  S12  1  0.593  0.872  0.721  1.0
  S  S13  1  0.128  0.849  0.721  1.0
[/CIF]
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The material structure described by Li(CrS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to four equivalent S(1) atoms to form LiS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. Cr(1) is bonded to six equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Li(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. S(1) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.017
_cell_length_b   7.017
_cell_length_c   7.017
_cell_angle_alpha   118.589
_cell_angle_beta   118.589
_cell_angle_gamma   92.461
_symmetry_Int_Tables_number   1
_cell_volume   249.248
_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  0.000  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  Cr  Cr2  1  0.875  0.625  0.250  1.0
  Cr  Cr3  1  0.375  0.125  0.750  1.0
  Cr  Cr4  1  0.375  0.625  0.750  1.0
  Cr  Cr5  1  0.375  0.625  0.250  1.0
  S  S6  1  0.599  0.378  0.221  1.0
  S  S7  1  0.622  0.401  0.779  1.0
  S  S8  1  0.157  0.378  0.779  1.0
  S  S9  1  0.622  0.843  0.221  1.0
  S  S10  1  0.151  0.872  0.279  1.0
  S  S11  1  0.128  0.407  0.279  1.0
  S  S12  1  0.593  0.872  0.721  1.0
  S  S13  1  0.128  0.849  0.721  1.0
[/CIF]
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