The structure described by Li2CuS2 is Ilmenite-like structured and crystallizes in the monoclinic C2/m 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 square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded to four equivalent Li(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SLi4Cu2 pentagonal pyramids. is represented by the CIF file [CIF]
data_Li2CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.425
_cell_length_b   4.425
_cell_length_c   6.167
_cell_angle_alpha   77.422
_cell_angle_beta   77.422
_cell_angle_gamma   45.630
_symmetry_Int_Tables_number   1
_cell_volume   83.872
_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  0.666  0.666  0.335  1.0
  Li  Li1  1  0.334  0.334  0.665  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.609  0.609  0.754  1.0
  S  S4  1  0.391  0.391  0.246  1.0
[/CIF]
.
The structure described by Li2CuS2 is Ilmenite-like structured and crystallizes in the monoclinic C2/m 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 square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded to four equivalent Li(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SLi4Cu2 pentagonal pyramids. is represented by the CIF file [CIF]
data_Li2CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.425
_cell_length_b   4.425
_cell_length_c   6.167
_cell_angle_alpha   77.422
_cell_angle_beta   77.422
_cell_angle_gamma   45.630
_symmetry_Int_Tables_number   1
_cell_volume   83.872
_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  0.666  0.666  0.335  1.0
  Li  Li1  1  0.334  0.334  0.665  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.609  0.609  0.754  1.0
  S  S4  1  0.391  0.391  0.246  1.0
[/CIF]
.