The crystal structure described by LiCuS crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded in a distorted see-saw-like geometry to four equivalent S(1) atoms. Cu(1) is bonded in a linear geometry to two equivalent S(1) atoms. S(1) is bonded to four equivalent Li(1) and two equivalent Cu(1) atoms to form a mixture of corner and edge-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-22°. is represented by the CIF file [CIF]
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.574
_cell_length_b   7.574
_cell_length_c   7.574
_cell_angle_alpha   95.678
_cell_angle_beta   95.678
_cell_angle_gamma   143.333
_symmetry_Int_Tables_number   1
_cell_volume   246.244
_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  0.156  0.500  0.656  1.0
  Li  Li1  1  0.500  0.156  0.656  1.0
  Li  Li2  1  0.500  0.844  0.344  1.0
  Li  Li3  1  0.844  0.500  0.344  1.0
  Cu  Cu4  1  0.855  0.145  0.000  1.0
  Cu  Cu5  1  0.855  0.855  0.710  1.0
  Cu  Cu6  1  0.145  0.145  0.290  1.0
  Cu  Cu7  1  0.145  0.855  0.000  1.0
  S  S8  1  0.702  0.000  0.702  1.0
  S  S9  1  0.000  0.702  0.702  1.0
  S  S10  1  0.000  0.298  0.298  1.0
  S  S11  1  0.298  0.000  0.298  1.0
[/CIF]
.
The crystal structure described by LiCuS crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded in a distorted see-saw-like geometry to four equivalent S(1) atoms. Cu(1) is bonded in a linear geometry to two equivalent S(1) atoms. S(1) is bonded to four equivalent Li(1) and two equivalent Cu(1) atoms to form a mixture of corner and edge-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-22°. is represented by the CIF file [CIF]
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.574
_cell_length_b   7.574
_cell_length_c   7.574
_cell_angle_alpha   95.678
_cell_angle_beta   95.678
_cell_angle_gamma   143.333
_symmetry_Int_Tables_number   1
_cell_volume   246.244
_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  0.156  0.500  0.656  1.0
  Li  Li1  1  0.500  0.156  0.656  1.0
  Li  Li2  1  0.500  0.844  0.344  1.0
  Li  Li3  1  0.844  0.500  0.344  1.0
  Cu  Cu4  1  0.855  0.145  0.000  1.0
  Cu  Cu5  1  0.855  0.855  0.710  1.0
  Cu  Cu6  1  0.145  0.145  0.290  1.0
  Cu  Cu7  1  0.145  0.855  0.000  1.0
  S  S8  1  0.702  0.000  0.702  1.0
  S  S9  1  0.000  0.702  0.702  1.0
  S  S10  1  0.000  0.298  0.298  1.0
  S  S11  1  0.298  0.000  0.298  1.0
[/CIF]
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