The compound described by Li3VS4 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form distorted LiS5 trigonal bipyramids that share corners with three equivalent V(1)S4 tetrahedra, corners with two equivalent Li(1)S5 trigonal bipyramids,  an edgeedge with one V(1)S4 tetrahedra, and  an edgeedge with one Li(1)S5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one S(2), one S(4), and two equivalent S(3) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one S(2), one S(3), and two equivalent S(4) atoms. V(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form VS4 tetrahedra that share corners with three equivalent Li(1)S5 trigonal bipyramids and  an edgeedge with one Li(1)S5 trigonal bipyramid. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(1) atom. In the second S site, S(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one V(1) atom to form distorted SLi4V trigonal bipyramids that share corners with two equivalent S(4)Li3V trigonal pyramids,  an edgeedge with one S(2)Li4V trigonal bipyramid, and  an edgeedge with one S(4)Li3V trigonal pyramid. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), two equivalent Li(2), and one V(1) atom. In the fourth S site, S(4) is bonded to one Li(2), two equivalent Li(3), and one V(1) atom to form SLi3V trigonal pyramids that share corners with two equivalent S(2)Li4V trigonal bipyramids, corners with two equivalent S(4)Li3V trigonal pyramids, and  an edgeedge with one S(2)Li4V trigonal bipyramid. is represented by the CIF card [CIF]
data_Li3VS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.990
_cell_length_b   7.133
_cell_length_c   12.917
_cell_angle_alpha   78.710
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   631.528
_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  0.347  0.933  0.891  1.0
  Li  Li1  1  0.916  0.709  0.884  1.0
  Li  Li2  1  0.153  0.933  0.391  1.0
  Li  Li3  1  0.501  0.486  0.866  1.0
  Li  Li4  1  0.584  0.709  0.384  1.0
  Li  Li5  1  0.001  0.514  0.634  1.0
  Li  Li6  1  0.999  0.486  0.366  1.0
  Li  Li7  1  0.416  0.291  0.616  1.0
  Li  Li8  1  0.499  0.514  0.134  1.0
  Li  Li9  1  0.847  0.067  0.609  1.0
  Li  Li10  1  0.084  0.291  0.116  1.0
  Li  Li11  1  0.653  0.067  0.109  1.0
  V  V12  1  0.609  0.705  0.622  1.0
  V  V13  1  0.891  0.705  0.122  1.0
  V  V14  1  0.109  0.295  0.878  1.0
  V  V15  1  0.391  0.295  0.378  1.0
  S  S16  1  0.595  0.903  0.729  1.0
  S  S17  1  0.845  0.782  0.511  1.0
  S  S18  1  0.905  0.903  0.229  1.0
  S  S19  1  0.348  0.699  0.537  1.0
  S  S20  1  0.172  0.578  0.788  1.0
  S  S21  1  0.655  0.782  0.011  1.0
  S  S22  1  0.672  0.422  0.712  1.0
  S  S23  1  0.848  0.301  0.963  1.0
  S  S24  1  0.152  0.699  0.037  1.0
  S  S25  1  0.328  0.578  0.288  1.0
  S  S26  1  0.345  0.218  0.989  1.0
  S  S27  1  0.828  0.422  0.212  1.0
  S  S28  1  0.652  0.301  0.463  1.0
  S  S29  1  0.095  0.097  0.771  1.0
  S  S30  1  0.155  0.218  0.489  1.0
  S  S31  1  0.405  0.097  0.271  1.0
[/CIF]
.
The compound described by Li3VS4 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form distorted LiS5 trigonal bipyramids that share corners with three equivalent V(1)S4 tetrahedra, corners with two equivalent Li(1)S5 trigonal bipyramids,  an edgeedge with one V(1)S4 tetrahedra, and  an edgeedge with one Li(1)S5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one S(2), one S(4), and two equivalent S(3) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one S(2), one S(3), and two equivalent S(4) atoms. V(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form VS4 tetrahedra that share corners with three equivalent Li(1)S5 trigonal bipyramids and  an edgeedge with one Li(1)S5 trigonal bipyramid. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(1) atom. In the second S site, S(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one V(1) atom to form distorted SLi4V trigonal bipyramids that share corners with two equivalent S(4)Li3V trigonal pyramids,  an edgeedge with one S(2)Li4V trigonal bipyramid, and  an edgeedge with one S(4)Li3V trigonal pyramid. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), two equivalent Li(2), and one V(1) atom. In the fourth S site, S(4) is bonded to one Li(2), two equivalent Li(3), and one V(1) atom to form SLi3V trigonal pyramids that share corners with two equivalent S(2)Li4V trigonal bipyramids, corners with two equivalent S(4)Li3V trigonal pyramids, and  an edgeedge with one S(2)Li4V trigonal bipyramid. is represented by the CIF card [CIF]
data_Li3VS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.990
_cell_length_b   7.133
_cell_length_c   12.917
_cell_angle_alpha   78.710
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   631.528
_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  0.347  0.933  0.891  1.0
  Li  Li1  1  0.916  0.709  0.884  1.0
  Li  Li2  1  0.153  0.933  0.391  1.0
  Li  Li3  1  0.501  0.486  0.866  1.0
  Li  Li4  1  0.584  0.709  0.384  1.0
  Li  Li5  1  0.001  0.514  0.634  1.0
  Li  Li6  1  0.999  0.486  0.366  1.0
  Li  Li7  1  0.416  0.291  0.616  1.0
  Li  Li8  1  0.499  0.514  0.134  1.0
  Li  Li9  1  0.847  0.067  0.609  1.0
  Li  Li10  1  0.084  0.291  0.116  1.0
  Li  Li11  1  0.653  0.067  0.109  1.0
  V  V12  1  0.609  0.705  0.622  1.0
  V  V13  1  0.891  0.705  0.122  1.0
  V  V14  1  0.109  0.295  0.878  1.0
  V  V15  1  0.391  0.295  0.378  1.0
  S  S16  1  0.595  0.903  0.729  1.0
  S  S17  1  0.845  0.782  0.511  1.0
  S  S18  1  0.905  0.903  0.229  1.0
  S  S19  1  0.348  0.699  0.537  1.0
  S  S20  1  0.172  0.578  0.788  1.0
  S  S21  1  0.655  0.782  0.011  1.0
  S  S22  1  0.672  0.422  0.712  1.0
  S  S23  1  0.848  0.301  0.963  1.0
  S  S24  1  0.152  0.699  0.037  1.0
  S  S25  1  0.328  0.578  0.288  1.0
  S  S26  1  0.345  0.218  0.989  1.0
  S  S27  1  0.828  0.422  0.212  1.0
  S  S28  1  0.652  0.301  0.463  1.0
  S  S29  1  0.095  0.097  0.771  1.0
  S  S30  1  0.155  0.218  0.489  1.0
  S  S31  1  0.405  0.097  0.271  1.0
[/CIF]
.