The structure described by Li2CuS2 is Hazelwoodite-derived structured and crystallizes in the tetragonal P4_2/nmc space group. Li(1) is bonded to four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing LiS4 tetrahedra. Cu(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. S(1) 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   5.591
_cell_length_b   5.591
_cell_length_c   5.838
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.506
_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
  Cu  Cu0  1  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  1.000  0.500  0.500  1.0
  Li  Li4  1  0.500  0.000  0.000  1.0
  Li  Li5  1  1.000  0.500  1.000  1.0
  S  S6  1  0.725  0.275  0.750  1.0
  S  S7  1  0.725  0.725  0.250  1.0
  S  S8  1  0.275  0.275  0.250  1.0
  S  S9  1  0.275  0.725  0.750  1.0
[/CIF]
.
The structure described by Li2CuS2 is Hazelwoodite-derived structured and crystallizes in the tetragonal P4_2/nmc space group. Li(1) is bonded to four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing LiS4 tetrahedra. Cu(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. S(1) 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   5.591
_cell_length_b   5.591
_cell_length_c   5.838
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.506
_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
  Cu  Cu0  1  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  1.000  0.500  0.500  1.0
  Li  Li4  1  0.500  0.000  0.000  1.0
  Li  Li5  1  1.000  0.500  1.000  1.0
  S  S6  1  0.725  0.275  0.750  1.0
  S  S7  1  0.725  0.725  0.250  1.0
  S  S8  1  0.275  0.275  0.250  1.0
  S  S9  1  0.275  0.725  0.750  1.0
[/CIF]
.