The structure described by LiCoS2 crystallizes in the trigonal R3m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one S(1), and three equivalent S(2) atoms. Co(1) is bonded to one Li(1), three equivalent S(1), and three equivalent S(2) atoms to form distorted CoLiS6 octahedra that share  a cornercorner with one S(1)LiCo3 tetrahedra and edges with six equivalent Co(1)LiS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Li(1) and three equivalent Co(1) atoms to form distorted SLiCo3 tetrahedra that share  a cornercorner with one Co(1)LiS6 octahedra and corners with six equivalent S(1)LiCo3 tetrahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_LiCoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.515
_cell_length_b   6.515
_cell_length_c   6.515
_cell_angle_alpha   30.416
_cell_angle_beta   30.416
_cell_angle_gamma   30.416
_symmetry_Int_Tables_number   1
_cell_volume   62.824
_cell_formula_units_Z   1
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  0.855  0.855  0.855  1.0
  Co  Co1  1  0.999  0.999  0.999  1.0
  S  S2  1  0.726  0.726  0.726  1.0
  S  S3  1  0.268  0.268  0.268  1.0
[/CIF]
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The structure described by LiCoS2 crystallizes in the trigonal R3m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one S(1), and three equivalent S(2) atoms. Co(1) is bonded to one Li(1), three equivalent S(1), and three equivalent S(2) atoms to form distorted CoLiS6 octahedra that share  a cornercorner with one S(1)LiCo3 tetrahedra and edges with six equivalent Co(1)LiS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Li(1) and three equivalent Co(1) atoms to form distorted SLiCo3 tetrahedra that share  a cornercorner with one Co(1)LiS6 octahedra and corners with six equivalent S(1)LiCo3 tetrahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_LiCoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.515
_cell_length_b   6.515
_cell_length_c   6.515
_cell_angle_alpha   30.416
_cell_angle_beta   30.416
_cell_angle_gamma   30.416
_symmetry_Int_Tables_number   1
_cell_volume   62.824
_cell_formula_units_Z   1
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  0.855  0.855  0.855  1.0
  Co  Co1  1  0.999  0.999  0.999  1.0
  S  S2  1  0.726  0.726  0.726  1.0
  S  S3  1  0.268  0.268  0.268  1.0
[/CIF]
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