Materials Data on FeCoSi2 by Materials Project

Abstract

FeCoSi2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Fe is bonded in a 7-coordinate geometry to four equivalent Co and seven Si atoms. There are a spread of Fe–Co bond distances ranging from 2.71–2.76 Å. There are a spread of Fe–Si bond distances ranging from 2.28–2.48 Å. Co is bonded in a 7-coordinate geometry to four equivalent Fe, two equivalent Co, and seven Si atoms. Both Co–Co bond lengths are 2.70 Å. There are a spread of Co–Si bond distances ranging from 2.30–2.49 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to four equivalent Fe and three equivalent Co atoms. In the second Si site, Si is bonded in a 7-coordinate geometry to three equivalent Fe and four equivalent Co atoms.