The structure described by LiCoS2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with six equivalent Co(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 10°. Co(1) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 10°. S(1) is bonded to three equivalent Li(1) and three equivalent Co(1) atoms to form a mixture of corner and edge-sharing SLi3Co3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_LiCoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.861
_cell_length_b   6.861
_cell_length_c   6.861
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   228.418
_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  0.125  0.125  0.125  1.0
  Li  Li1  1  0.625  0.125  0.125  1.0
  Li  Li2  1  0.125  0.625  0.125  1.0
  Li  Li3  1  0.125  0.125  0.625  1.0
  Co  Co4  1  0.625  0.625  0.125  1.0
  Co  Co5  1  0.625  0.625  0.625  1.0
  Co  Co6  1  0.625  0.125  0.625  1.0
  Co  Co7  1  0.125  0.625  0.625  1.0
  S  S8  1  0.860  0.420  0.860  1.0
  S  S9  1  0.860  0.860  0.420  1.0
  S  S10  1  0.860  0.860  0.860  1.0
  S  S11  1  0.420  0.860  0.860  1.0
  S  S12  1  0.390  0.390  0.390  1.0
  S  S13  1  0.830  0.390  0.390  1.0
  S  S14  1  0.390  0.830  0.390  1.0
  S  S15  1  0.390  0.390  0.830  1.0
[/CIF]
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The structure described by LiCoS2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with six equivalent Co(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 10°. Co(1) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 10°. S(1) is bonded to three equivalent Li(1) and three equivalent Co(1) atoms to form a mixture of corner and edge-sharing SLi3Co3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_LiCoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.861
_cell_length_b   6.861
_cell_length_c   6.861
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   228.418
_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  0.125  0.125  0.125  1.0
  Li  Li1  1  0.625  0.125  0.125  1.0
  Li  Li2  1  0.125  0.625  0.125  1.0
  Li  Li3  1  0.125  0.125  0.625  1.0
  Co  Co4  1  0.625  0.625  0.125  1.0
  Co  Co5  1  0.625  0.625  0.625  1.0
  Co  Co6  1  0.625  0.125  0.625  1.0
  Co  Co7  1  0.125  0.625  0.625  1.0
  S  S8  1  0.860  0.420  0.860  1.0
  S  S9  1  0.860  0.860  0.420  1.0
  S  S10  1  0.860  0.860  0.860  1.0
  S  S11  1  0.420  0.860  0.860  1.0
  S  S12  1  0.390  0.390  0.390  1.0
  S  S13  1  0.830  0.390  0.390  1.0
  S  S14  1  0.390  0.830  0.390  1.0
  S  S15  1  0.390  0.390  0.830  1.0
[/CIF]
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