The material structure described by LiVO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the second V site, V(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to three equivalent Li(1), one V(2), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. is represented by the CIF file [CIF]
data_LiVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.946
_cell_length_b   2.946
_cell_length_c   5.207
_cell_angle_alpha   74.485
_cell_angle_beta   74.474
_cell_angle_gamma   60.982
_symmetry_Int_Tables_number   1
_cell_volume   37.566
_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  1.000  0.000  0.000  1.0
  O  O1  1  0.754  0.754  0.731  1.0
  O  O2  1  0.246  0.246  0.269  1.0
  V  V3  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material structure described by LiVO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the second V site, V(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to three equivalent Li(1), one V(2), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. is represented by the CIF file [CIF]
data_LiVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.946
_cell_length_b   2.946
_cell_length_c   5.207
_cell_angle_alpha   74.485
_cell_angle_beta   74.474
_cell_angle_gamma   60.982
_symmetry_Int_Tables_number   1
_cell_volume   37.566
_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  1.000  0.000  0.000  1.0
  O  O1  1  0.754  0.754  0.731  1.0
  O  O2  1  0.246  0.246  0.269  1.0
  V  V3  1  0.500  0.500  0.500  1.0
[/CIF]
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