The material structure described by LiVS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with twelve equivalent V(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and faces with two equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. V(1) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with twelve equivalent Li(1)S6 octahedra, edges with six equivalent V(1)S6 octahedra, and faces with two equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. S(1) is bonded to three equivalent Li(1) and three equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing SLi3V3 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.481
_cell_length_b   3.481
_cell_length_c   6.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   63.481
_cell_formula_units_Z   1
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  0.000  0.000  0.500  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.667  0.333  0.230  1.0
  S  S3  1  0.333  0.667  0.770  1.0
[/CIF]
.
The material structure described by LiVS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with twelve equivalent V(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and faces with two equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. V(1) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with twelve equivalent Li(1)S6 octahedra, edges with six equivalent V(1)S6 octahedra, and faces with two equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. S(1) is bonded to three equivalent Li(1) and three equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing SLi3V3 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.481
_cell_length_b   3.481
_cell_length_c   6.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   63.481
_cell_formula_units_Z   1
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  0.000  0.000  0.500  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.667  0.333  0.230  1.0
  S  S3  1  0.333  0.667  0.770  1.0
[/CIF]
.