The compound described by Li2Cu2S3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(2) and three equivalent S(3) atoms to form distorted LiS4 trigonal pyramids that share  a cornercorner with one Li(2)S6 octahedra,  a cornercorner with one Li(3)S6 octahedra, corners with four equivalent Cu(1)S4 tetrahedra, corners with five equivalent Cu(2)S4 tetrahedra, corners with two equivalent Li(1)S4 trigonal pyramids, edges with two equivalent Li(1)S4 trigonal pyramids, and  a faceface with one Li(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. In the second Li site, Li(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form distorted LiS6 octahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, corners with two equivalent Li(1)S4 trigonal pyramids, edges with three equivalent Li(3)S6 octahedra, edges with two equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cu(2)S4 tetrahedra, and faces with two equivalent Li(1)S4 trigonal pyramids. In the third Li site, Li(3) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form LiS6 octahedra that share corners with two equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, corners with two equivalent Li(1)S4 trigonal pyramids, edges with two equivalent Li(3)S6 octahedra, edges with three equivalent Li(2)S6 octahedra, edges with two equivalent Cu(2)S4 tetrahedra, and edges with four equivalent Cu(1)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share  a cornercorner with one Li(3)S6 octahedra, corners with two equivalent Li(2)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with three equivalent Cu(2)S4 tetrahedra, corners with four equivalent Li(1)S4 trigonal pyramids,  an edgeedge with one Li(2)S6 octahedra, edges with two equivalent Li(3)S6 octahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-54°. In the second Cu site, Cu(2) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted CuS4 tetrahedra that share corners with two equivalent Li(2)S6 octahedra, corners with two equivalent Li(3)S6 octahedra, corners with three equivalent Cu(1)S4 tetrahedra, corners with five equivalent Li(1)S4 trigonal pyramids,  an edgeedge with one Li(2)S6 octahedra,  an edgeedge with one Li(3)S6 octahedra,  an edgeedge with one Cu(1)S4 tetrahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-55°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(3), one Cu(2), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Cu(1), and two equivalent Cu(2) atoms. In the third S site, S(3) is bonded to one Li(2), three equivalent Li(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge, face, and corner-sharing SLi4Cu2 pentagonal pyramids. is represented by the CIF card [CIF]
data_Li2Cu2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.049
_cell_length_b   9.049
_cell_length_c   6.473
_cell_angle_alpha   69.791
_cell_angle_beta   69.791
_cell_angle_gamma   83.180
_symmetry_Int_Tables_number   1
_cell_volume   466.746
_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  0.810  0.975  0.061  1.0
  Li  Li1  1  0.975  0.810  0.561  1.0
  Li  Li2  1  0.275  0.725  0.250  1.0
  Li  Li3  1  0.571  0.429  0.250  1.0
  Li  Li4  1  0.429  0.571  0.750  1.0
  Li  Li5  1  0.725  0.275  0.750  1.0
  Li  Li6  1  0.025  0.190  0.439  1.0
  Li  Li7  1  0.190  0.025  0.939  1.0
  Cu  Cu8  1  0.783  0.630  0.387  1.0
  Cu  Cu9  1  0.441  0.921  0.401  1.0
  Cu  Cu10  1  0.630  0.783  0.887  1.0
  Cu  Cu11  1  0.921  0.441  0.901  1.0
  Cu  Cu12  1  0.079  0.559  0.099  1.0
  Cu  Cu13  1  0.370  0.217  0.113  1.0
  Cu  Cu14  1  0.559  0.079  0.599  1.0
  Cu  Cu15  1  0.217  0.370  0.613  1.0
  S  S16  1  0.566  0.717  0.278  1.0
  S  S17  1  0.853  0.406  0.287  1.0
  S  S18  1  0.717  0.566  0.778  1.0
  S  S19  1  0.406  0.853  0.787  1.0
  S  S20  1  0.003  0.784  0.184  1.0
  S  S21  1  0.997  0.216  0.816  1.0
  S  S22  1  0.594  0.147  0.213  1.0
  S  S23  1  0.283  0.434  0.222  1.0
  S  S24  1  0.784  0.003  0.684  1.0
  S  S25  1  0.147  0.594  0.713  1.0
  S  S26  1  0.434  0.283  0.722  1.0
  S  S27  1  0.216  0.997  0.316  1.0
[/CIF]
.
The compound described by Li2Cu2S3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(2) and three equivalent S(3) atoms to form distorted LiS4 trigonal pyramids that share  a cornercorner with one Li(2)S6 octahedra,  a cornercorner with one Li(3)S6 octahedra, corners with four equivalent Cu(1)S4 tetrahedra, corners with five equivalent Cu(2)S4 tetrahedra, corners with two equivalent Li(1)S4 trigonal pyramids, edges with two equivalent Li(1)S4 trigonal pyramids, and  a faceface with one Li(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. In the second Li site, Li(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form distorted LiS6 octahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, corners with two equivalent Li(1)S4 trigonal pyramids, edges with three equivalent Li(3)S6 octahedra, edges with two equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cu(2)S4 tetrahedra, and faces with two equivalent Li(1)S4 trigonal pyramids. In the third Li site, Li(3) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form LiS6 octahedra that share corners with two equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, corners with two equivalent Li(1)S4 trigonal pyramids, edges with two equivalent Li(3)S6 octahedra, edges with three equivalent Li(2)S6 octahedra, edges with two equivalent Cu(2)S4 tetrahedra, and edges with four equivalent Cu(1)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share  a cornercorner with one Li(3)S6 octahedra, corners with two equivalent Li(2)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with three equivalent Cu(2)S4 tetrahedra, corners with four equivalent Li(1)S4 trigonal pyramids,  an edgeedge with one Li(2)S6 octahedra, edges with two equivalent Li(3)S6 octahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-54°. In the second Cu site, Cu(2) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted CuS4 tetrahedra that share corners with two equivalent Li(2)S6 octahedra, corners with two equivalent Li(3)S6 octahedra, corners with three equivalent Cu(1)S4 tetrahedra, corners with five equivalent Li(1)S4 trigonal pyramids,  an edgeedge with one Li(2)S6 octahedra,  an edgeedge with one Li(3)S6 octahedra,  an edgeedge with one Cu(1)S4 tetrahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-55°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(3), one Cu(2), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Cu(1), and two equivalent Cu(2) atoms. In the third S site, S(3) is bonded to one Li(2), three equivalent Li(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge, face, and corner-sharing SLi4Cu2 pentagonal pyramids. is represented by the CIF card [CIF]
data_Li2Cu2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.049
_cell_length_b   9.049
_cell_length_c   6.473
_cell_angle_alpha   69.791
_cell_angle_beta   69.791
_cell_angle_gamma   83.180
_symmetry_Int_Tables_number   1
_cell_volume   466.746
_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  0.810  0.975  0.061  1.0
  Li  Li1  1  0.975  0.810  0.561  1.0
  Li  Li2  1  0.275  0.725  0.250  1.0
  Li  Li3  1  0.571  0.429  0.250  1.0
  Li  Li4  1  0.429  0.571  0.750  1.0
  Li  Li5  1  0.725  0.275  0.750  1.0
  Li  Li6  1  0.025  0.190  0.439  1.0
  Li  Li7  1  0.190  0.025  0.939  1.0
  Cu  Cu8  1  0.783  0.630  0.387  1.0
  Cu  Cu9  1  0.441  0.921  0.401  1.0
  Cu  Cu10  1  0.630  0.783  0.887  1.0
  Cu  Cu11  1  0.921  0.441  0.901  1.0
  Cu  Cu12  1  0.079  0.559  0.099  1.0
  Cu  Cu13  1  0.370  0.217  0.113  1.0
  Cu  Cu14  1  0.559  0.079  0.599  1.0
  Cu  Cu15  1  0.217  0.370  0.613  1.0
  S  S16  1  0.566  0.717  0.278  1.0
  S  S17  1  0.853  0.406  0.287  1.0
  S  S18  1  0.717  0.566  0.778  1.0
  S  S19  1  0.406  0.853  0.787  1.0
  S  S20  1  0.003  0.784  0.184  1.0
  S  S21  1  0.997  0.216  0.816  1.0
  S  S22  1  0.594  0.147  0.213  1.0
  S  S23  1  0.283  0.434  0.222  1.0
  S  S24  1  0.784  0.003  0.684  1.0
  S  S25  1  0.147  0.594  0.713  1.0
  S  S26  1  0.434  0.283  0.722  1.0
  S  S27  1  0.216  0.997  0.316  1.0
[/CIF]
.