Li2FeTiO4 is beta Polonium-derived structured and crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Fe(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 four equivalent Li(1), one Ti(1), and one Fe(1) atom to form OLi4TiFe octahedra that share corners with six equivalent O(1)Li4TiFe octahedra, edges with four equivalent O(1)Li4TiFe octahedra, and edges with eight equivalent O(2)Li2Ti2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Ti(1), and two equivalent Fe(1) atoms to form OLi2Ti2Fe2 octahedra that share corners with six equivalent O(2)Li2Ti2Fe2 octahedra, edges with four equivalent O(2)Li2Ti2Fe2 octahedra, and edges with eight equivalent O(1)Li4TiFe octahedra. The corner-sharing octahedra are not tilted.
Li2FeTiO4 is beta Polonium-derived structured and crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Both Li(1)-O(2) bond lengths are 2.01 Å. All Li(1)-O(1) bond lengths are 2.13 Å. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedra are not tilted. Both Ti(1)-O(1) bond lengths are 1.89 Å. All Ti(1)-O(2) bond lengths are 2.12 Å. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Fe(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 Fe(1)-O(1) bond lengths are 2.13 Å. All Fe(1)-O(2) bond lengths are 2.12 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1), one Ti(1), and one Fe(1) atom to form OLi4TiFe octahedra that share corners with six equivalent O(1)Li4TiFe octahedra, edges with four equivalent O(1)Li4TiFe octahedra, and edges with eight equivalent O(2)Li2Ti2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Ti(1), and two equivalent Fe(1) atoms to form OLi2Ti2Fe2 octahedra that share corners with six equivalent O(2)Li2Ti2Fe2 octahedra, edges with four equivalent O(2)Li2Ti2Fe2 octahedra, and edges with eight equivalent O(1)Li4TiFe octahedra. The corner-sharing octahedra are not tilted.