Materials Data on CeFeSi2 by Materials Project

Abstract

CeFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to four equivalent Fe and ten Si atoms. All Ce–Fe bond lengths are 3.04 Å. There are a spread of Ce–Si bond distances ranging from 3.07–3.23 Å. Fe is bonded in a 9-coordinate geometry to four equivalent Ce and five Si atoms. There are a spread of Fe–Si bond distances ranging from 2.27–2.37 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to six equivalent Ce, one Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.41 Å. In the second Si site, Si is bonded in a 12-coordinate geometry to four equivalent Ce and four equivalent Fe atoms.