LiCeO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing LiO4 trigonal pyramids. Ce(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and four equivalent Ce(1) atoms to form a mixture of distorted corner, face, and edge-sharing OLi2Ce4 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Ce(1) atoms.
LiCeO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing LiO4 trigonal pyramids. There is one shorter (2.13 Å) and one longer (2.16 Å) Li(1)-O(1) bond length. There is one shorter (1.94 Å) and one longer (1.97 Å) Li(1)-O(2) bond length. Ce(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are a spread of Ce(1)-O(2) bond distances ranging from 2.37-2.50 Å. There are a spread of Ce(1)-O(1) bond distances ranging from 2.44-2.55 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and four equivalent Ce(1) atoms to form a mixture of distorted corner, face, and edge-sharing OLi2Ce4 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Ce(1) atoms.