LiTiO2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent Ti(1)O6 octahedra. The corner-sharing octahedra are not tilted. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and four equivalent Ti(1) atoms to form OLi2Ti4 octahedra that share corners with six equivalent O(1)Li2Ti4 octahedra, edges with four equivalent O(1)Li2Ti4 octahedra, and edges with eight equivalent O(2)Li4Ti2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Li(1) and two equivalent Ti(1) atoms to form OLi4Ti2 octahedra that share corners with six equivalent O(2)Li4Ti2 octahedra, edges with four equivalent O(2)Li4Ti2 octahedra, and edges with eight equivalent O(1)Li2Ti4 octahedra. The corner-sharing octahedra are not tilted.
LiTiO2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent Ti(1)O6 octahedra. The corner-sharing octahedra are not tilted. Both Li(1)-O(1) bond lengths are 2.00 Å. All Li(1)-O(2) bond lengths are 2.10 Å. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedra are not tilted. Both Ti(1)-O(2) bond lengths are 2.00 Å. All Ti(1)-O(1) bond lengths are 2.10 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and four equivalent Ti(1) atoms to form OLi2Ti4 octahedra that share corners with six equivalent O(1)Li2Ti4 octahedra, edges with four equivalent O(1)Li2Ti4 octahedra, and edges with eight equivalent O(2)Li4Ti2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Li(1) and two equivalent Ti(1) atoms to form OLi4Ti2 octahedra that share corners with six equivalent O(2)Li4Ti2 octahedra, edges with four equivalent O(2)Li4Ti2 octahedra, and edges with eight equivalent O(1)Li2Ti4 octahedra. The corner-sharing octahedra are not tilted.