LiVO2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted 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(2)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-22°. In the second Li site, Li(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. In the second V site, V(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent V(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one V(2), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one V(2), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-20°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-20°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-20°.
LiVO2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted 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(2)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-22°. The Li(1)-O(3) bond length is 2.37 Å. The Li(1)-O(4) bond length is 2.38 Å. There is one shorter (2.08 Å) and one longer (2.09 Å) Li(1)-O(1) bond length. There is one shorter (1.85 Å) and one longer (2.36 Å) Li(1)-O(2) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. The Li(2)-O(1) bond length is 2.39 Å. The Li(2)-O(2) bond length is 2.36 Å. There is one shorter (2.08 Å) and one longer (2.09 Å) Li(2)-O(3) bond length. There is one shorter (1.82 Å) and one longer (2.39 Å) Li(2)-O(4) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. The V(1)-O(3) bond length is 2.04 Å. The V(1)-O(4) bond length is 2.08 Å. There is one shorter (1.82 Å) and one longer (2.39 Å) V(1)-O(1) bond length. There is one shorter (2.08 Å) and one longer (2.09 Å) V(1)-O(2) bond length. In the second V site, V(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent V(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. The V(2)-O(1) bond length is 2.04 Å. The V(2)-O(2) bond length is 2.08 Å. There is one shorter (1.82 Å) and one longer (2.39 Å) V(2)-O(3) bond length. There is one shorter (2.08 Å) and one longer (2.09 Å) V(2)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one V(2), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one V(2), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-20°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-20°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-20°.