LiCe2O3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Ce(1)O6 octahedra. The corner-sharing octahedra are not tilted. Ce(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CeO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Ce(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with nine equivalent Ce(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 three equivalent Li(1) and three equivalent Ce(1) atoms to form OLi3Ce3 octahedra that share corners with three equivalent O(2)Ce6 octahedra, corners with three equivalent O(1)Li3Ce3 octahedra, edges with three equivalent O(2)Ce6 octahedra, and edges with nine equivalent O(1)Li3Ce3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to six equivalent Ce(1) atoms to form OCe6 octahedra that share corners with six equivalent O(1)Li3Ce3 octahedra, edges with six equivalent O(2)Ce6 octahedra, and edges with six equivalent O(1)Li3Ce3 octahedra. The corner-sharing octahedral tilt angles are 3°.
LiCe2O3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Ce(1)O6 octahedra. The corner-sharing octahedra are not tilted. All Li(1)-O(1) bond lengths are 2.39 Å. Ce(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CeO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Ce(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with nine equivalent Ce(1)O6 octahedra. The corner-sharing octahedra are not tilted. All Ce(1)-O(1) bond lengths are 2.38 Å. All Ce(1)-O(2) bond lengths are 2.48 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Ce(1) atoms to form OLi3Ce3 octahedra that share corners with three equivalent O(2)Ce6 octahedra, corners with three equivalent O(1)Li3Ce3 octahedra, edges with three equivalent O(2)Ce6 octahedra, and edges with nine equivalent O(1)Li3Ce3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to six equivalent Ce(1) atoms to form OCe6 octahedra that share corners with six equivalent O(1)Li3Ce3 octahedra, edges with six equivalent O(2)Ce6 octahedra, and edges with six equivalent O(1)Li3Ce3 octahedra. The corner-sharing octahedral tilt angles are 3°.