The compound described by Li2V2S5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one S(3), two equivalent S(1), and two equivalent S(2) atoms. V(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing VS5 trigonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the third S site, S(3) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Li2V2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.899
_cell_length_b   5.899
_cell_length_c   11.605
_cell_angle_alpha   69.152
_cell_angle_beta   69.152
_cell_angle_gamma   63.758
_symmetry_Int_Tables_number   1
_cell_volume   328.913
_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  0.818  0.565  0.180  1.0
  Li  Li1  1  0.565  0.818  0.680  1.0
  Li  Li2  1  0.435  0.182  0.320  1.0
  Li  Li3  1  0.182  0.435  0.820  1.0
  V  V4  1  0.240  0.942  0.053  1.0
  V  V5  1  0.058  0.760  0.447  1.0
  V  V6  1  0.942  0.240  0.553  1.0
  V  V7  1  0.760  0.058  0.947  1.0
  S  S8  1  0.706  0.701  0.467  1.0
  S  S9  1  0.701  0.706  0.967  1.0
  S  S10  1  0.977  0.192  0.358  1.0
  S  S11  1  0.338  0.662  0.250  1.0
  S  S12  1  0.808  0.023  0.142  1.0
  S  S13  1  0.192  0.977  0.858  1.0
  S  S14  1  0.662  0.338  0.750  1.0
  S  S15  1  0.023  0.808  0.642  1.0
  S  S16  1  0.299  0.294  0.033  1.0
  S  S17  1  0.294  0.299  0.533  1.0
[/CIF]
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The compound described by Li2V2S5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one S(3), two equivalent S(1), and two equivalent S(2) atoms. V(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing VS5 trigonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the third S site, S(3) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Li2V2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.899
_cell_length_b   5.899
_cell_length_c   11.605
_cell_angle_alpha   69.152
_cell_angle_beta   69.152
_cell_angle_gamma   63.758
_symmetry_Int_Tables_number   1
_cell_volume   328.913
_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  0.818  0.565  0.180  1.0
  Li  Li1  1  0.565  0.818  0.680  1.0
  Li  Li2  1  0.435  0.182  0.320  1.0
  Li  Li3  1  0.182  0.435  0.820  1.0
  V  V4  1  0.240  0.942  0.053  1.0
  V  V5  1  0.058  0.760  0.447  1.0
  V  V6  1  0.942  0.240  0.553  1.0
  V  V7  1  0.760  0.058  0.947  1.0
  S  S8  1  0.706  0.701  0.467  1.0
  S  S9  1  0.701  0.706  0.967  1.0
  S  S10  1  0.977  0.192  0.358  1.0
  S  S11  1  0.338  0.662  0.250  1.0
  S  S12  1  0.808  0.023  0.142  1.0
  S  S13  1  0.192  0.977  0.858  1.0
  S  S14  1  0.662  0.338  0.750  1.0
  S  S15  1  0.023  0.808  0.642  1.0
  S  S16  1  0.299  0.294  0.033  1.0
  S  S17  1  0.294  0.299  0.533  1.0
[/CIF]
.