The crystal structure described by Li3VS4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form LiS4 tetrahedra that share corners with four equivalent V(1)S4 tetrahedra and corners with eight equivalent Li(2)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and corners with four equivalent V(1)S4 tetrahedra. V(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form VS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra and corners with eight equivalent Li(2)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), two equivalent Li(2), and one V(1) atom to form corner-sharing SLi3V tetrahedra. In the second S site, S(2) is bonded to one Li(1), two equivalent Li(2), and one V(1) atom to form corner-sharing SLi3V tetrahedra. In the third S site, S(3) is bonded to one Li(1), two equivalent Li(2), and one V(1) atom to form corner-sharing SLi3V tetrahedra. is represented by the CIF card [CIF]
data_Li3VS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.235
_cell_length_b   6.814
_cell_length_c   7.939
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   337.307
_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  0.487  0.162  0.000  1.0
  Li  Li1  1  0.990  0.329  0.247  1.0
  Li  Li2  1  0.490  0.671  0.253  1.0
  Li  Li3  1  0.987  0.838  0.500  1.0
  Li  Li4  1  0.490  0.671  0.747  1.0
  Li  Li5  1  0.990  0.329  0.753  1.0
  V  V6  1  0.001  0.829  0.000  1.0
  V  V7  1  0.501  0.171  0.500  1.0
  S  S8  1  0.890  0.130  0.000  1.0
  S  S9  1  0.348  0.825  0.000  1.0
  S  S10  1  0.890  0.679  0.225  1.0
  S  S11  1  0.390  0.321  0.275  1.0
  S  S12  1  0.848  0.175  0.500  1.0
  S  S13  1  0.390  0.870  0.500  1.0
  S  S14  1  0.390  0.321  0.725  1.0
  S  S15  1  0.890  0.679  0.775  1.0
[/CIF]
.
The crystal structure described by Li3VS4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form LiS4 tetrahedra that share corners with four equivalent V(1)S4 tetrahedra and corners with eight equivalent Li(2)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and corners with four equivalent V(1)S4 tetrahedra. V(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form VS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra and corners with eight equivalent Li(2)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), two equivalent Li(2), and one V(1) atom to form corner-sharing SLi3V tetrahedra. In the second S site, S(2) is bonded to one Li(1), two equivalent Li(2), and one V(1) atom to form corner-sharing SLi3V tetrahedra. In the third S site, S(3) is bonded to one Li(1), two equivalent Li(2), and one V(1) atom to form corner-sharing SLi3V tetrahedra. is represented by the CIF card [CIF]
data_Li3VS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.235
_cell_length_b   6.814
_cell_length_c   7.939
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   337.307
_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  0.487  0.162  0.000  1.0
  Li  Li1  1  0.990  0.329  0.247  1.0
  Li  Li2  1  0.490  0.671  0.253  1.0
  Li  Li3  1  0.987  0.838  0.500  1.0
  Li  Li4  1  0.490  0.671  0.747  1.0
  Li  Li5  1  0.990  0.329  0.753  1.0
  V  V6  1  0.001  0.829  0.000  1.0
  V  V7  1  0.501  0.171  0.500  1.0
  S  S8  1  0.890  0.130  0.000  1.0
  S  S9  1  0.348  0.825  0.000  1.0
  S  S10  1  0.890  0.679  0.225  1.0
  S  S11  1  0.390  0.321  0.275  1.0
  S  S12  1  0.848  0.175  0.500  1.0
  S  S13  1  0.390  0.870  0.500  1.0
  S  S14  1  0.390  0.321  0.725  1.0
  S  S15  1  0.890  0.679  0.775  1.0
[/CIF]
.