LiFeO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. O(1) is bonded to three equivalent Li(1) and three equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OLi3Fe3 octahedra. The corner-sharing octahedra are not tilted.
LiFeO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Li(1)-O(1) bond lengths are 2.13 Å. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Fe(1)-O(1) bond lengths are 2.04 Å. O(1) is bonded to three equivalent Li(1) and three equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OLi3Fe3 octahedra. The corner-sharing octahedra are not tilted.