Materials Data on CeCO by Materials Project

Abstract

CeOC crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce4+ is bonded in a 8-coordinate geometry to four equivalent C2- and four equivalent O2- atoms. There are a spread of Ce–C bond distances ranging from 2.64–2.73 Å. There are three shorter (2.36 Å) and one longer (2.38 Å) Ce–O bond lengths. C2- is bonded to four equivalent Ce4+ and one C2- atom to form distorted CCe4C trigonal bipyramids that share corners with ten equivalent OCe4 tetrahedra, corners with six equivalent CCe4C trigonal bipyramids, edges with three equivalent OCe4 tetrahedra, and edges with three equivalent CCe4C trigonal bipyramids. The C–C bond length is 1.29 Å. O2- is bonded to four equivalent Ce4+ atoms to form OCe4 tetrahedra that share corners with six equivalent OCe4 tetrahedra, corners with ten equivalent CCe4C trigonal bipyramids, edges with three equivalent OCe4 tetrahedra, and edges with three equivalent CCe4C trigonal bipyramids.