Materials Data on Ce2FeSn4 by Materials Project

Abstract

Ce2FeSn4 crystallizes in the orthorhombic Amm2 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 one Fe and ten Sn atoms. The Ce–Fe bond length is 3.35 Å. There are a spread of Ce–Sn bond distances ranging from 3.23–3.38 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four equivalent Fe and ten Sn atoms. All Ce–Fe bond lengths are 3.58 Å. There are a spread of Ce–Sn bond distances ranging from 3.38–3.74 Å. Fe is bonded in a 5-coordinate geometry to five Ce and five Sn atoms. There are a spread of Fe–Sn bond distances ranging from 2.49–2.53 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six Ce, one Fe, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.03 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Ce and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Ce and two equivalent Fe atoms. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to four Ce and two equivalent Fe atoms.