The structure described by Li2CuS2 is Hazelwoodite-derived structured and crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a 4-coordinate geometry to one S(1), one S(3), and two equivalent S(2) atoms. Cu(1) is bonded in a 4-coordinate geometry to one S(1), one S(3), and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Li2CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.599
_cell_length_b   5.599
_cell_length_c   5.806
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.344
_symmetry_Int_Tables_number   1
_cell_volume   182.010
_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  0.503  0.003  0.752  1.0
  Li  Li1  1  0.003  0.503  0.752  1.0
  Li  Li2  1  0.503  0.003  0.248  1.0
  Li  Li3  1  0.003  0.503  0.248  1.0
  Cu  Cu4  1  0.999  0.999  0.251  1.0
  Cu  Cu5  1  0.999  0.999  0.749  1.0
  S  S6  1  0.773  0.773  0.000  1.0
  S  S7  1  0.233  0.776  0.500  1.0
  S  S8  1  0.776  0.233  0.500  1.0
  S  S9  1  0.228  0.228  0.000  1.0
[/CIF]
.
The structure described by Li2CuS2 is Hazelwoodite-derived structured and crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a 4-coordinate geometry to one S(1), one S(3), and two equivalent S(2) atoms. Cu(1) is bonded in a 4-coordinate geometry to one S(1), one S(3), and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Li2CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.599
_cell_length_b   5.599
_cell_length_c   5.806
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.344
_symmetry_Int_Tables_number   1
_cell_volume   182.010
_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  0.503  0.003  0.752  1.0
  Li  Li1  1  0.003  0.503  0.752  1.0
  Li  Li2  1  0.503  0.003  0.248  1.0
  Li  Li3  1  0.003  0.503  0.248  1.0
  Cu  Cu4  1  0.999  0.999  0.251  1.0
  Cu  Cu5  1  0.999  0.999  0.749  1.0
  S  S6  1  0.773  0.773  0.000  1.0
  S  S7  1  0.233  0.776  0.500  1.0
  S  S8  1  0.776  0.233  0.500  1.0
  S  S9  1  0.228  0.228  0.000  1.0
[/CIF]
.