The material described by LiVO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic P222 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the second Li site, Li(2) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Li site, Li(3) is bonded to two equivalent O(3) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth Li site, Li(4) is bonded to two equivalent O(6) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth Li site, Li(5) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth V site, V(4) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent V(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fifth V site, V(5) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(2), one V(5), and two equivalent V(3) atoms to form OLi2V4 octahedra that share corners with two equivalent O(1)Li2V4 octahedra, corners with four equivalent O(3)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(6)Li4V2 octahedra, edges with four equivalent O(2)Li3V3 octahedra, and edges with four equivalent O(5)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(5), one V(3), one V(4), and one V(5) atom to form OLi3V3 octahedra that share corners with two equivalent O(5)Li3V3 octahedra, corners with four equivalent O(2)Li3V3 octahedra, edges with two equivalent O(1)Li2V4 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(6)Li4V2 octahedra, and edges with four equivalent O(2)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), one V(4), and two equivalent V(3) atoms to form OLi3V3 octahedra that share corners with two equivalent O(3)Li3V3 octahedra, corners with four equivalent O(1)Li2V4 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(6)Li4V2 octahedra, edges with four equivalent O(2)Li3V3 octahedra, and edges with four equivalent O(5)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Li(5), two equivalent Li(1), one V(1), and two equivalent V(3) atoms to form OLi3V3 octahedra that share corners with two equivalent O(4)Li3V3 octahedra, corners with four equivalent O(6)Li4V2 octahedra, edges with two equivalent O(1)Li2V4 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with four equivalent O(2)Li3V3 octahedra, and edges with four equivalent O(5)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one V(1), one V(2), and one V(3) atom to form OLi3V3 octahedra that share corners with two equivalent O(2)Li3V3 octahedra, corners with four equivalent O(5)Li3V3 octahedra, edges with two equivalent O(1)Li2V4 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(6)Li4V2 octahedra, and edges with four equivalent O(5)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), two equivalent Li(1), and two equivalent V(3) atoms to form OLi4V2 octahedra that share corners with two equivalent O(6)Li4V2 octahedra, corners with four equivalent O(4)Li3V3 octahedra, edges with two equivalent O(1)Li2V4 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with four equivalent O(2)Li3V3 octahedra, and edges with four equivalent O(5)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.841
_cell_length_b   5.847
_cell_length_c   8.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.750
_cell_formula_units_Z   8
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  0.252  0.253  0.249  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.748  0.253  0.751  1.0
  Li  Li3  1  0.000  0.500  0.000  1.0
  Li  Li4  1  0.252  0.747  0.751  1.0
  Li  Li5  1  0.500  0.500  0.000  1.0
  Li  Li6  1  0.748  0.747  0.249  1.0
  Li  Li7  1  0.000  0.000  0.500  1.0
  V  V8  1  0.000  0.000  0.000  1.0
  V  V9  1  0.500  0.000  0.000  1.0
  V  V10  1  0.745  0.740  0.751  1.0
  V  V11  1  0.745  0.260  0.249  1.0
  V  V12  1  0.000  0.500  0.500  1.0
  V  V13  1  0.255  0.740  0.249  1.0
  V  V14  1  0.255  0.260  0.751  1.0
  V  V15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.500  0.000  0.251  1.0
  O  O17  1  0.748  0.245  0.484  1.0
  O  O18  1  0.000  0.500  0.732  1.0
  O  O19  1  0.000  0.000  0.234  1.0
  O  O20  1  0.252  0.245  0.516  1.0
  O  O21  1  0.253  0.241  0.988  1.0
  O  O22  1  0.253  0.759  0.012  1.0
  O  O23  1  0.500  0.500  0.247  1.0
  O  O24  1  0.500  0.500  0.753  1.0
  O  O25  1  0.747  0.759  0.988  1.0
  O  O26  1  0.747  0.241  0.012  1.0
  O  O27  1  0.748  0.755  0.516  1.0
  O  O28  1  0.000  0.000  0.766  1.0
  O  O29  1  0.000  0.500  0.268  1.0
  O  O30  1  0.252  0.755  0.484  1.0
  O  O31  1  0.500  0.000  0.749  1.0
[/CIF]
.
The material described by LiVO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic P222 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the second Li site, Li(2) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Li site, Li(3) is bonded to two equivalent O(3) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth Li site, Li(4) is bonded to two equivalent O(6) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth Li site, Li(5) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth V site, V(4) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent V(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fifth V site, V(5) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(2), one V(5), and two equivalent V(3) atoms to form OLi2V4 octahedra that share corners with two equivalent O(1)Li2V4 octahedra, corners with four equivalent O(3)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(6)Li4V2 octahedra, edges with four equivalent O(2)Li3V3 octahedra, and edges with four equivalent O(5)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(5), one V(3), one V(4), and one V(5) atom to form OLi3V3 octahedra that share corners with two equivalent O(5)Li3V3 octahedra, corners with four equivalent O(2)Li3V3 octahedra, edges with two equivalent O(1)Li2V4 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(6)Li4V2 octahedra, and edges with four equivalent O(2)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), one V(4), and two equivalent V(3) atoms to form OLi3V3 octahedra that share corners with two equivalent O(3)Li3V3 octahedra, corners with four equivalent O(1)Li2V4 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(6)Li4V2 octahedra, edges with four equivalent O(2)Li3V3 octahedra, and edges with four equivalent O(5)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Li(5), two equivalent Li(1), one V(1), and two equivalent V(3) atoms to form OLi3V3 octahedra that share corners with two equivalent O(4)Li3V3 octahedra, corners with four equivalent O(6)Li4V2 octahedra, edges with two equivalent O(1)Li2V4 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with four equivalent O(2)Li3V3 octahedra, and edges with four equivalent O(5)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one V(1), one V(2), and one V(3) atom to form OLi3V3 octahedra that share corners with two equivalent O(2)Li3V3 octahedra, corners with four equivalent O(5)Li3V3 octahedra, edges with two equivalent O(1)Li2V4 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(6)Li4V2 octahedra, and edges with four equivalent O(5)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), two equivalent Li(1), and two equivalent V(3) atoms to form OLi4V2 octahedra that share corners with two equivalent O(6)Li4V2 octahedra, corners with four equivalent O(4)Li3V3 octahedra, edges with two equivalent O(1)Li2V4 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with four equivalent O(2)Li3V3 octahedra, and edges with four equivalent O(5)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.841
_cell_length_b   5.847
_cell_length_c   8.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.750
_cell_formula_units_Z   8
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  0.252  0.253  0.249  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.748  0.253  0.751  1.0
  Li  Li3  1  0.000  0.500  0.000  1.0
  Li  Li4  1  0.252  0.747  0.751  1.0
  Li  Li5  1  0.500  0.500  0.000  1.0
  Li  Li6  1  0.748  0.747  0.249  1.0
  Li  Li7  1  0.000  0.000  0.500  1.0
  V  V8  1  0.000  0.000  0.000  1.0
  V  V9  1  0.500  0.000  0.000  1.0
  V  V10  1  0.745  0.740  0.751  1.0
  V  V11  1  0.745  0.260  0.249  1.0
  V  V12  1  0.000  0.500  0.500  1.0
  V  V13  1  0.255  0.740  0.249  1.0
  V  V14  1  0.255  0.260  0.751  1.0
  V  V15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.500  0.000  0.251  1.0
  O  O17  1  0.748  0.245  0.484  1.0
  O  O18  1  0.000  0.500  0.732  1.0
  O  O19  1  0.000  0.000  0.234  1.0
  O  O20  1  0.252  0.245  0.516  1.0
  O  O21  1  0.253  0.241  0.988  1.0
  O  O22  1  0.253  0.759  0.012  1.0
  O  O23  1  0.500  0.500  0.247  1.0
  O  O24  1  0.500  0.500  0.753  1.0
  O  O25  1  0.747  0.759  0.988  1.0
  O  O26  1  0.747  0.241  0.012  1.0
  O  O27  1  0.748  0.755  0.516  1.0
  O  O28  1  0.000  0.000  0.766  1.0
  O  O29  1  0.000  0.500  0.268  1.0
  O  O30  1  0.252  0.755  0.484  1.0
  O  O31  1  0.500  0.000  0.749  1.0
[/CIF]
.