The compound described by Li2Cu4S3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one S(1) and three equivalent S(3) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to two equivalent S(1) and three equivalent S(2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one S(3) and two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(1) atoms. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(2) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Li(2), one Cu(3), one Cu(4), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Li(2), one Cu(2), and two equivalent Cu(3) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to three equivalent Li(1), one Cu(1), and two equivalent Cu(4) atoms. is represented by the CIF file [CIF]
data_Li2Cu4S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.659
_cell_length_b   7.659
_cell_length_c   10.031
_cell_angle_alpha   71.981
_cell_angle_beta   71.981
_cell_angle_gamma   28.708
_symmetry_Int_Tables_number   1
_cell_volume   267.866
_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  0.835  0.835  0.849  1.0
  Li  Li1  1  0.308  0.308  0.352  1.0
  Li  Li2  1  0.692  0.692  0.648  1.0
  Li  Li3  1  0.165  0.165  0.151  1.0
  Cu  Cu4  1  0.485  0.485  0.882  1.0
  Cu  Cu5  1  0.469  0.469  0.635  1.0
  Cu  Cu6  1  0.899  0.899  0.514  1.0
  Cu  Cu7  1  0.899  0.899  0.099  1.0
  Cu  Cu8  1  0.101  0.101  0.901  1.0
  Cu  Cu9  1  0.101  0.101  0.486  1.0
  Cu  Cu10  1  0.531  0.531  0.365  1.0
  Cu  Cu11  1  0.515  0.515  0.118  1.0
  S  S12  1  0.970  0.970  0.275  1.0
  S  S13  1  0.318  0.318  0.622  1.0
  S  S14  1  0.338  0.338  0.043  1.0
  S  S15  1  0.662  0.662  0.957  1.0
  S  S16  1  0.682  0.682  0.378  1.0
  S  S17  1  0.030  0.030  0.725  1.0
[/CIF]
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The compound described by Li2Cu4S3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one S(1) and three equivalent S(3) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to two equivalent S(1) and three equivalent S(2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one S(3) and two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(1) atoms. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(2) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Li(2), one Cu(3), one Cu(4), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Li(2), one Cu(2), and two equivalent Cu(3) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to three equivalent Li(1), one Cu(1), and two equivalent Cu(4) atoms. is represented by the CIF file [CIF]
data_Li2Cu4S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.659
_cell_length_b   7.659
_cell_length_c   10.031
_cell_angle_alpha   71.981
_cell_angle_beta   71.981
_cell_angle_gamma   28.708
_symmetry_Int_Tables_number   1
_cell_volume   267.866
_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  0.835  0.835  0.849  1.0
  Li  Li1  1  0.308  0.308  0.352  1.0
  Li  Li2  1  0.692  0.692  0.648  1.0
  Li  Li3  1  0.165  0.165  0.151  1.0
  Cu  Cu4  1  0.485  0.485  0.882  1.0
  Cu  Cu5  1  0.469  0.469  0.635  1.0
  Cu  Cu6  1  0.899  0.899  0.514  1.0
  Cu  Cu7  1  0.899  0.899  0.099  1.0
  Cu  Cu8  1  0.101  0.101  0.901  1.0
  Cu  Cu9  1  0.101  0.101  0.486  1.0
  Cu  Cu10  1  0.531  0.531  0.365  1.0
  Cu  Cu11  1  0.515  0.515  0.118  1.0
  S  S12  1  0.970  0.970  0.275  1.0
  S  S13  1  0.318  0.318  0.622  1.0
  S  S14  1  0.338  0.338  0.043  1.0
  S  S15  1  0.662  0.662  0.957  1.0
  S  S16  1  0.682  0.682  0.378  1.0
  S  S17  1  0.030  0.030  0.725  1.0
[/CIF]
.