The compound 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 58-59°. 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 to one Li(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing SLiCr3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.035
_cell_length_b   7.035
_cell_length_c   7.035
_cell_angle_alpha   119.851
_cell_angle_beta   119.851
_cell_angle_gamma   90.258
_symmetry_Int_Tables_number   1
_cell_volume   246.712
_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  0.614  0.384  0.229  1.0
  S  S7  1  0.616  0.386  0.771  1.0
  S  S8  1  0.155  0.384  0.771  1.0
  S  S9  1  0.616  0.845  0.229  1.0
  S  S10  1  0.136  0.866  0.271  1.0
  S  S11  1  0.134  0.405  0.271  1.0
  S  S12  1  0.595  0.866  0.729  1.0
  S  S13  1  0.134  0.864  0.729  1.0
[/CIF]
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The compound 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 58-59°. 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 to one Li(1) and three equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing SLiCr3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.035
_cell_length_b   7.035
_cell_length_c   7.035
_cell_angle_alpha   119.851
_cell_angle_beta   119.851
_cell_angle_gamma   90.258
_symmetry_Int_Tables_number   1
_cell_volume   246.712
_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  0.614  0.384  0.229  1.0
  S  S7  1  0.616  0.386  0.771  1.0
  S  S8  1  0.155  0.384  0.771  1.0
  S  S9  1  0.616  0.845  0.229  1.0
  S  S10  1  0.136  0.866  0.271  1.0
  S  S11  1  0.134  0.405  0.271  1.0
  S  S12  1  0.595  0.866  0.729  1.0
  S  S13  1  0.134  0.864  0.729  1.0
[/CIF]
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