The material described by Li2(VS2)3 crystallizes in the hexagonal P6_3/mcm space group. Li(1) is bonded in a linear geometry to two equivalent S(1) atoms. V(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form distorted edge-sharing VS6 pentagonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent V(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2(VS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.596
_cell_length_b   5.596
_cell_length_c   14.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   403.978
_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  0.333  0.667  0.000  1.0
  Li  Li1  1  0.333  0.667  0.500  1.0
  Li  Li2  1  0.667  0.333  0.500  1.0
  Li  Li3  1  0.667  0.333  0.000  1.0
  V  V4  1  0.000  0.675  0.750  1.0
  V  V5  1  0.000  0.325  0.250  1.0
  V  V6  1  0.325  0.325  0.750  1.0
  V  V7  1  0.325  0.000  0.250  1.0
  V  V8  1  0.675  0.675  0.250  1.0
  V  V9  1  0.675  0.000  0.750  1.0
  S  S10  1  0.333  0.667  0.846  1.0
  S  S11  1  0.333  0.667  0.346  1.0
  S  S12  1  0.000  0.000  0.850  1.0
  S  S13  1  0.000  0.000  0.150  1.0
  S  S14  1  0.000  0.000  0.350  1.0
  S  S15  1  0.333  0.667  0.154  1.0
  S  S16  1  0.000  0.000  0.650  1.0
  S  S17  1  0.333  0.667  0.654  1.0
  S  S18  1  0.667  0.333  0.846  1.0
  S  S19  1  0.667  0.333  0.346  1.0
  S  S20  1  0.667  0.333  0.654  1.0
  S  S21  1  0.667  0.333  0.154  1.0
[/CIF]
.
The material described by Li2(VS2)3 crystallizes in the hexagonal P6_3/mcm space group. Li(1) is bonded in a linear geometry to two equivalent S(1) atoms. V(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form distorted edge-sharing VS6 pentagonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent V(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2(VS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.596
_cell_length_b   5.596
_cell_length_c   14.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   403.978
_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  0.333  0.667  0.000  1.0
  Li  Li1  1  0.333  0.667  0.500  1.0
  Li  Li2  1  0.667  0.333  0.500  1.0
  Li  Li3  1  0.667  0.333  0.000  1.0
  V  V4  1  0.000  0.675  0.750  1.0
  V  V5  1  0.000  0.325  0.250  1.0
  V  V6  1  0.325  0.325  0.750  1.0
  V  V7  1  0.325  0.000  0.250  1.0
  V  V8  1  0.675  0.675  0.250  1.0
  V  V9  1  0.675  0.000  0.750  1.0
  S  S10  1  0.333  0.667  0.846  1.0
  S  S11  1  0.333  0.667  0.346  1.0
  S  S12  1  0.000  0.000  0.850  1.0
  S  S13  1  0.000  0.000  0.150  1.0
  S  S14  1  0.000  0.000  0.350  1.0
  S  S15  1  0.333  0.667  0.154  1.0
  S  S16  1  0.000  0.000  0.650  1.0
  S  S17  1  0.333  0.667  0.654  1.0
  S  S18  1  0.667  0.333  0.846  1.0
  S  S19  1  0.667  0.333  0.346  1.0
  S  S20  1  0.667  0.333  0.654  1.0
  S  S21  1  0.667  0.333  0.154  1.0
[/CIF]
.