Materials Data on Ce3Sn5 by Materials Project

Abstract

Ce3Sn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.14–3.58 Å. In the second Ce site, Ce is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.26–3.51 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five Ce and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.24 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Ce and four Sn atoms. There are two shorter (3.10 Å) and one longer (3.19 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 3-coordinate geometry to six Ce and two equivalent Sn atoms.