Materials Data on CaCeC4 by Materials Project

Abstract

CaCeC4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Ca–C bond distances ranging from 2.53–2.78 Å. Ce4+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Ce–C bond distances ranging from 2.52–2.78 Å. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to three equivalent Ca2+, two equivalent Ce4+, and one C+1.50- atom. The C–C bond length is 1.28 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to two equivalent Ca2+, three equivalent Ce4+, and one C+1.50- atom. The C–C bond length is 1.30 Å.