The compound described by LiVO3 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with four equivalent V(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-24°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-24°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   5.106
_cell_length_c   4.979
_cell_angle_alpha   83.464
_cell_angle_beta   83.464
_cell_angle_gamma   123.632
_symmetry_Int_Tables_number   1
_cell_volume   104.898
_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  0.150  0.850  0.000  1.0
  Li  Li1  1  0.850  0.150  0.000  1.0
  V  V2  1  0.342  0.658  0.500  1.0
  V  V3  1  0.658  0.342  0.500  1.0
  O  O4  1  0.700  0.700  0.288  1.0
  O  O5  1  0.300  0.300  0.712  1.0
  O  O6  1  0.455  0.056  0.273  1.0
  O  O7  1  0.944  0.545  0.727  1.0
  O  O8  1  0.545  0.944  0.727  1.0
  O  O9  1  0.056  0.455  0.273  1.0
[/CIF]
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The compound described by LiVO3 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with four equivalent V(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-24°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-24°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   5.106
_cell_length_c   4.979
_cell_angle_alpha   83.464
_cell_angle_beta   83.464
_cell_angle_gamma   123.632
_symmetry_Int_Tables_number   1
_cell_volume   104.898
_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  0.150  0.850  0.000  1.0
  Li  Li1  1  0.850  0.150  0.000  1.0
  V  V2  1  0.342  0.658  0.500  1.0
  V  V3  1  0.658  0.342  0.500  1.0
  O  O4  1  0.700  0.700  0.288  1.0
  O  O5  1  0.300  0.300  0.712  1.0
  O  O6  1  0.455  0.056  0.273  1.0
  O  O7  1  0.944  0.545  0.727  1.0
  O  O8  1  0.545  0.944  0.727  1.0
  O  O9  1  0.056  0.455  0.273  1.0
[/CIF]
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