LiVO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the second V site, V(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to three equivalent Li(1), one V(2), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°.
LiVO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. There are two shorter (2.14 Å) and one longer (2.19 Å) Li(1)-O(1) bond length. There are a spread of Li(1)-O(2) bond distances ranging from 2.14-2.21 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. Both V(1)-O(1) bond lengths are 2.08 Å. There are two shorter (2.01 Å) and two longer (2.07 Å) V(1)-O(2) bond lengths. In the second V site, V(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. Both V(2)-O(2) bond lengths are 2.09 Å. There are two shorter (2.03 Å) and two longer (2.06 Å) V(2)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to three equivalent Li(1), one V(2), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°.