The material structure described by LiVO2 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 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 two equivalent V(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent V(1) atoms to form a mixture of edge and corner-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent V(1) atoms to form a mixture of edge and corner-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.037
_cell_length_b   4.254
_cell_length_c   5.260
_cell_angle_alpha   113.807
_cell_angle_beta   112.550
_cell_angle_gamma   90.009
_symmetry_Int_Tables_number   1
_cell_volume   75.035
_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  0.359  0.367  0.224  1.0
  Li  Li1  1  0.639  0.143  0.777  1.0
  O  O2  1  0.890  0.397  0.285  1.0
  O  O3  1  0.109  0.114  0.717  1.0
  O  O4  1  0.356  0.861  0.214  1.0
  O  O5  1  0.643  0.651  0.789  1.0
  V  V6  1  0.880  0.887  0.264  1.0
  V  V7  1  0.119  0.624  0.738  1.0
[/CIF]
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The material structure described by LiVO2 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 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 two equivalent V(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent V(1) atoms to form a mixture of edge and corner-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent V(1) atoms to form a mixture of edge and corner-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.037
_cell_length_b   4.254
_cell_length_c   5.260
_cell_angle_alpha   113.807
_cell_angle_beta   112.550
_cell_angle_gamma   90.009
_symmetry_Int_Tables_number   1
_cell_volume   75.035
_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  0.359  0.367  0.224  1.0
  Li  Li1  1  0.639  0.143  0.777  1.0
  O  O2  1  0.890  0.397  0.285  1.0
  O  O3  1  0.109  0.114  0.717  1.0
  O  O4  1  0.356  0.861  0.214  1.0
  O  O5  1  0.643  0.651  0.789  1.0
  V  V6  1  0.880  0.887  0.264  1.0
  V  V7  1  0.119  0.624  0.738  1.0
[/CIF]
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