The material described by LiCuS2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Cu(1) is bonded in a distorted square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded in a 5-coordinate geometry to three equivalent Li(1) and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_LiCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.228
_cell_length_b   4.228
_cell_length_c   6.059
_cell_angle_alpha   64.991
_cell_angle_beta   64.991
_cell_angle_gamma   47.734
_symmetry_Int_Tables_number   1
_cell_volume   71.060
_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  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  S  S2  1  0.873  0.873  0.266  1.0
  S  S3  1  0.127  0.127  0.734  1.0
[/CIF]
.
The material described by LiCuS2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Cu(1) is bonded in a distorted square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded in a 5-coordinate geometry to three equivalent Li(1) and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_LiCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.228
_cell_length_b   4.228
_cell_length_c   6.059
_cell_angle_alpha   64.991
_cell_angle_beta   64.991
_cell_angle_gamma   47.734
_symmetry_Int_Tables_number   1
_cell_volume   71.060
_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  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  S  S2  1  0.873  0.873  0.266  1.0
  S  S3  1  0.127  0.127  0.734  1.0
[/CIF]
.