The material described by LiVSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent Se(1) atoms to form LiSe6 octahedra that share corners with twelve equivalent V(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and faces with two equivalent V(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 46°. V(1) is bonded to six equivalent Se(1) atoms to form VSe6 octahedra that share corners with twelve equivalent Li(1)Se6 octahedra, edges with six equivalent V(1)Se6 octahedra, and faces with two equivalent Li(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 46°. Se(1) is bonded to three equivalent Li(1) and three equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing SeLi3V3 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.534
_cell_length_b   3.534
_cell_length_c   6.459
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   69.871
_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
  Se  Se2  1  0.333  0.667  0.233  1.0
  Se  Se3  1  0.667  0.333  0.767  1.0
[/CIF]
.
The material described by LiVSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent Se(1) atoms to form LiSe6 octahedra that share corners with twelve equivalent V(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and faces with two equivalent V(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 46°. V(1) is bonded to six equivalent Se(1) atoms to form VSe6 octahedra that share corners with twelve equivalent Li(1)Se6 octahedra, edges with six equivalent V(1)Se6 octahedra, and faces with two equivalent Li(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 46°. Se(1) is bonded to three equivalent Li(1) and three equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing SeLi3V3 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.534
_cell_length_b   3.534
_cell_length_c   6.459
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   69.871
_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
  Se  Se2  1  0.333  0.667  0.233  1.0
  Se  Se3  1  0.667  0.333  0.767  1.0
[/CIF]
.