The material described by LiVO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Li(1)O6 octahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one V(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the CIF file [CIF]
data_LiVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.608
_cell_length_b   6.608
_cell_length_c   5.835
_cell_angle_alpha   73.399
_cell_angle_beta   73.399
_cell_angle_gamma   78.111
_symmetry_Int_Tables_number   1
_cell_volume   231.821
_cell_formula_units_Z   4
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  0.080  0.920  0.750  1.0
  Li  Li1  1  0.920  0.080  0.250  1.0
  Li  Li2  1  0.723  0.277  0.750  1.0
  Li  Li3  1  0.277  0.723  0.250  1.0
  V  V4  1  0.189  0.380  0.736  1.0
  V  V5  1  0.380  0.189  0.236  1.0
  V  V6  1  0.811  0.620  0.264  1.0
  V  V7  1  0.620  0.811  0.764  1.0
  O  O8  1  0.679  0.616  0.580  1.0
  O  O9  1  0.321  0.384  0.420  1.0
  O  O10  1  0.616  0.679  0.080  1.0
  O  O11  1  0.001  0.778  0.162  1.0
  O  O12  1  0.999  0.222  0.838  1.0
  O  O13  1  0.778  0.001  0.662  1.0
  O  O14  1  0.077  0.627  0.723  1.0
  O  O15  1  0.222  0.999  0.338  1.0
  O  O16  1  0.627  0.077  0.223  1.0
  O  O17  1  0.373  0.923  0.777  1.0
  O  O18  1  0.923  0.373  0.277  1.0
  O  O19  1  0.384  0.321  0.920  1.0
[/CIF]
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The material described by LiVO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Li(1)O6 octahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one V(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the CIF file [CIF]
data_LiVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.608
_cell_length_b   6.608
_cell_length_c   5.835
_cell_angle_alpha   73.399
_cell_angle_beta   73.399
_cell_angle_gamma   78.111
_symmetry_Int_Tables_number   1
_cell_volume   231.821
_cell_formula_units_Z   4
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  0.080  0.920  0.750  1.0
  Li  Li1  1  0.920  0.080  0.250  1.0
  Li  Li2  1  0.723  0.277  0.750  1.0
  Li  Li3  1  0.277  0.723  0.250  1.0
  V  V4  1  0.189  0.380  0.736  1.0
  V  V5  1  0.380  0.189  0.236  1.0
  V  V6  1  0.811  0.620  0.264  1.0
  V  V7  1  0.620  0.811  0.764  1.0
  O  O8  1  0.679  0.616  0.580  1.0
  O  O9  1  0.321  0.384  0.420  1.0
  O  O10  1  0.616  0.679  0.080  1.0
  O  O11  1  0.001  0.778  0.162  1.0
  O  O12  1  0.999  0.222  0.838  1.0
  O  O13  1  0.778  0.001  0.662  1.0
  O  O14  1  0.077  0.627  0.723  1.0
  O  O15  1  0.222  0.999  0.338  1.0
  O  O16  1  0.627  0.077  0.223  1.0
  O  O17  1  0.373  0.923  0.777  1.0
  O  O18  1  0.923  0.373  0.277  1.0
  O  O19  1  0.384  0.321  0.920  1.0
[/CIF]
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