The structure described by LiVO2 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(4)O6 octahedra, corners with four equivalent V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. In the second Li site, Li(2) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. In the third Li site, Li(3,4) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent V(4)O6 octahedra; corners with three equivalent V(3)O6 octahedra; corners with four equivalent V(2)O6 octahedra;  an edgeedge with one V(3)O6 octahedra; edges with two equivalent V(1)O6 octahedra; edges with six equivalent Li(3,4)O6 octahedra; and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(7), two equivalent O(3), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra; corners with three equivalent Li(3,4)O6 octahedra; corners with four equivalent Li(2)O6 octahedra; edges with two equivalent V(1)O6 octahedra; edges with three equivalent Li(3,4)O6 octahedra; edges with four equivalent V(3)O6 octahedra; and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. In the second V site, V(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent Li(2)O6 octahedra; corners with six equivalent Li(3,4)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two equivalent V(2)O6 octahedra; edges with four equivalent V(4)O6 octahedra; and  a faceface with one Li(3,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. In the third V site, V(3) is bonded to one O(3), one O(8), two equivalent O(4), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra; corners with three equivalent Li(3,4)O6 octahedra; corners with four equivalent Li(1)O6 octahedra; edges with two equivalent V(3)O6 octahedra; edges with three equivalent Li(3,4)O6 octahedra; edges with four equivalent V(1)O6 octahedra; and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. In the fourth V site, V(4) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O6 octahedra; corners with six equivalent Li(3,4)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two equivalent V(4)O6 octahedra; edges with four equivalent V(2)O6 octahedra; and  a faceface with one Li(3,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Li(3,4); one V(2); and two equivalent V(4) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Li(3,4); one V(4); and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), one V(3), and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Li(2), one V(1), and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), one V(4), and two equivalent V(2) atoms to form edge-sharing OLi3V3 octahedra. In the sixth O site, O(6) is bonded to one Li(2), two equivalent Li(1), one V(2), and two equivalent V(4) atoms to form edge-sharing OLi3V3 octahedra. In the seventh O site, O(7) is bonded to three equivalent Li(3,4); one V(1); and two equivalent V(3) atoms to form edge-sharing OLi3V3 octahedra. In the eighth O site, O(8) is bonded to three equivalent Li(3,4); one V(3); and two equivalent V(1) atoms to form edge-sharing OLi3V3 octahedra. is represented by the CIF card [CIF]
data_LiVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.953
_cell_length_b   2.973
_cell_length_c   10.083
_cell_angle_alpha   89.981
_cell_angle_beta   89.979
_cell_angle_gamma   119.755
_symmetry_Int_Tables_number   1
_cell_volume   76.869
_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  0.668  0.335  0.760  1.0
  Li  Li1  1  0.335  0.668  0.260  1.0
  O  O2  1  0.671  0.342  0.113  1.0
  O  O3  1  0.327  0.656  0.613  1.0
  O  O4  1  0.996  0.991  0.886  1.0
  O  O5  1  0.004  0.008  0.386  1.0
  V  V6  1  0.666  0.333  0.500  1.0
  V  V7  1  0.333  0.666  0.000  1.0
[/CIF]
.
The structure described by LiVO2 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(4)O6 octahedra, corners with four equivalent V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. In the second Li site, Li(2) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. In the third Li site, Li(3,4) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent V(4)O6 octahedra; corners with three equivalent V(3)O6 octahedra; corners with four equivalent V(2)O6 octahedra;  an edgeedge with one V(3)O6 octahedra; edges with two equivalent V(1)O6 octahedra; edges with six equivalent Li(3,4)O6 octahedra; and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(7), two equivalent O(3), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra; corners with three equivalent Li(3,4)O6 octahedra; corners with four equivalent Li(2)O6 octahedra; edges with two equivalent V(1)O6 octahedra; edges with three equivalent Li(3,4)O6 octahedra; edges with four equivalent V(3)O6 octahedra; and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. In the second V site, V(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent Li(2)O6 octahedra; corners with six equivalent Li(3,4)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two equivalent V(2)O6 octahedra; edges with four equivalent V(4)O6 octahedra; and  a faceface with one Li(3,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. In the third V site, V(3) is bonded to one O(3), one O(8), two equivalent O(4), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra; corners with three equivalent Li(3,4)O6 octahedra; corners with four equivalent Li(1)O6 octahedra; edges with two equivalent V(3)O6 octahedra; edges with three equivalent Li(3,4)O6 octahedra; edges with four equivalent V(1)O6 octahedra; and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. In the fourth V site, V(4) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O6 octahedra; corners with six equivalent Li(3,4)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two equivalent V(4)O6 octahedra; edges with four equivalent V(2)O6 octahedra; and  a faceface with one Li(3,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-48°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Li(3,4); one V(2); and two equivalent V(4) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Li(3,4); one V(4); and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), one V(3), and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Li(2), one V(1), and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), one V(4), and two equivalent V(2) atoms to form edge-sharing OLi3V3 octahedra. In the sixth O site, O(6) is bonded to one Li(2), two equivalent Li(1), one V(2), and two equivalent V(4) atoms to form edge-sharing OLi3V3 octahedra. In the seventh O site, O(7) is bonded to three equivalent Li(3,4); one V(1); and two equivalent V(3) atoms to form edge-sharing OLi3V3 octahedra. In the eighth O site, O(8) is bonded to three equivalent Li(3,4); one V(3); and two equivalent V(1) atoms to form edge-sharing OLi3V3 octahedra. is represented by the CIF card [CIF]
data_LiVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.953
_cell_length_b   2.973
_cell_length_c   10.083
_cell_angle_alpha   89.981
_cell_angle_beta   89.979
_cell_angle_gamma   119.755
_symmetry_Int_Tables_number   1
_cell_volume   76.869
_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  0.668  0.335  0.760  1.0
  Li  Li1  1  0.335  0.668  0.260  1.0
  O  O2  1  0.671  0.342  0.113  1.0
  O  O3  1  0.327  0.656  0.613  1.0
  O  O4  1  0.996  0.991  0.886  1.0
  O  O5  1  0.004  0.008  0.386  1.0
  V  V6  1  0.666  0.333  0.500  1.0
  V  V7  1  0.333  0.666  0.000  1.0
[/CIF]
.