Materials Data on CeOF by Materials Project

Abstract

CeOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Ce–O bond lengths are 2.45 Å. All Ce–F bond lengths are 2.45 Å. O2- is bonded to four equivalent Ce3+ atoms to form OCe4 tetrahedra that share corners with four equivalent FCe4 tetrahedra, corners with twelve equivalent OCe4 tetrahedra, and edges with six equivalent FCe4 tetrahedra. F1- is bonded to four equivalent Ce3+ atoms to form FCe4 tetrahedra that share corners with four equivalent OCe4 tetrahedra, corners with twelve equivalent FCe4 tetrahedra, and edges with six equivalent OCe4 tetrahedra.