The structure described by LiCoS2 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 6-coordinate geometry to one S(2) and five equivalent S(1) atoms. Co(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing CoS6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to five equivalent Li(1) and two equivalent Co(1) atoms. In the second S site, S(2) is bonded to one Li(1) and four equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing SLiCo4 square pyramids. is represented by the CIF card [CIF]
data_LiCoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.379
_cell_length_b   3.374
_cell_length_c   8.082
_cell_angle_alpha   90.386
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.416
_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  0.250  0.777  0.129  1.0
  Li  Li1  1  0.750  0.223  0.871  1.0
  Co  Co2  1  0.750  0.748  0.371  1.0
  Co  Co3  1  0.250  0.252  0.629  1.0
  S  S4  1  0.750  0.246  0.178  1.0
  S  S5  1  0.250  0.749  0.448  1.0
  S  S6  1  0.750  0.251  0.552  1.0
  S  S7  1  0.250  0.754  0.822  1.0
[/CIF]
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The structure described by LiCoS2 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 6-coordinate geometry to one S(2) and five equivalent S(1) atoms. Co(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing CoS6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to five equivalent Li(1) and two equivalent Co(1) atoms. In the second S site, S(2) is bonded to one Li(1) and four equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing SLiCo4 square pyramids. is represented by the CIF card [CIF]
data_LiCoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.379
_cell_length_b   3.374
_cell_length_c   8.082
_cell_angle_alpha   90.386
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.416
_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  0.250  0.777  0.129  1.0
  Li  Li1  1  0.750  0.223  0.871  1.0
  Co  Co2  1  0.750  0.748  0.371  1.0
  Co  Co3  1  0.250  0.252  0.629  1.0
  S  S4  1  0.750  0.246  0.178  1.0
  S  S5  1  0.250  0.749  0.448  1.0
  S  S6  1  0.750  0.251  0.552  1.0
  S  S7  1  0.250  0.754  0.822  1.0
[/CIF]
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