Materials Data on Ce4Co2Sn5 by Materials Project

Abstract

Ce4Co2Sn5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 10-coordinate geometry to two equivalent Co and eight Sn atoms. Both Ce–Co bond lengths are 3.12 Å. There are a spread of Ce–Sn bond distances ranging from 3.16–3.73 Å. In the second Ce site, Ce is bonded in a 9-coordinate geometry to two equivalent Co and seven Sn atoms. Both Ce–Co bond lengths are 3.09 Å. There are a spread of Ce–Sn bond distances ranging from 3.20–3.50 Å. Co is bonded in a 9-coordinate geometry to four Ce and five Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.61–2.70 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to seven Ce, one Co, and one Sn atom. The Sn–Sn bond length is 3.00 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to six Ce, two equivalent Co, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.19 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to five Ce, three equivalent Co, and two equivalent Sn atoms.