Li2CeO3 crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Ce(1)O6 octahedra, corners with six equivalent Li(1)O5 trigonal bipyramids, edges with four equivalent Ce(1)O6 octahedra, and edges with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. Ce(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CeO6 octahedra that share corners with two equivalent Ce(1)O6 octahedra, corners with four equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Ce(1)O6 octahedra, and edges with eight equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Li(1) and two equivalent Ce(1) atoms to form OLi4Ce2 octahedra that share corners with two equivalent O(2)Li4Ce2 octahedra, corners with four equivalent O(1)Li3Ce2 trigonal bipyramids, edges with two equivalent O(2)Li4Ce2 octahedra, and edges with eight equivalent O(1)Li3Ce2 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to three equivalent Li(1) and two equivalent Ce(1) atoms to form OLi3Ce2 trigonal bipyramids that share corners with two equivalent O(2)Li4Ce2 octahedra, corners with six equivalent O(1)Li3Ce2 trigonal bipyramids, edges with four equivalent O(2)Li4Ce2 octahedra, and edges with three equivalent O(1)Li3Ce2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°.
Li2CeO3 crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Ce(1)O6 octahedra, corners with six equivalent Li(1)O5 trigonal bipyramids, edges with four equivalent Ce(1)O6 octahedra, and edges with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. Both Li(1)-O(2) bond lengths are 2.30 Å. There is one shorter (1.89 Å) and two longer (2.24 Å) Li(1)-O(1) bond lengths. Ce(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CeO6 octahedra that share corners with two equivalent Ce(1)O6 octahedra, corners with four equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Ce(1)O6 octahedra, and edges with eight equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. Both Ce(1)-O(2) bond lengths are 2.24 Å. All Ce(1)-O(1) bond lengths are 2.24 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Li(1) and two equivalent Ce(1) atoms to form OLi4Ce2 octahedra that share corners with two equivalent O(2)Li4Ce2 octahedra, corners with four equivalent O(1)Li3Ce2 trigonal bipyramids, edges with two equivalent O(2)Li4Ce2 octahedra, and edges with eight equivalent O(1)Li3Ce2 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to three equivalent Li(1) and two equivalent Ce(1) atoms to form OLi3Ce2 trigonal bipyramids that share corners with two equivalent O(2)Li4Ce2 octahedra, corners with six equivalent O(1)Li3Ce2 trigonal bipyramids, edges with four equivalent O(2)Li4Ce2 octahedra, and edges with three equivalent O(1)Li3Ce2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°.