Materials Data on CeCuSi2 by Materials Project

Abstract

CeCuSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Cu and ten Si atoms. All Ce–Cu bond lengths are 3.18 Å. There are a spread of Ce–Si bond distances ranging from 3.12–3.20 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Ce and five Si atoms. There are a spread of Cu–Si bond distances ranging from 2.34–2.40 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce, one Cu, and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Cu atoms.