Materials Data on Er2Sn5 by Materials Project

Abstract

Er2Sn5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.17–3.48 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.17–3.45 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Sn atoms. There are one shorter (2.94 Å) and four longer (3.11 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Sn atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six Er and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to six Er and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Er and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.12 Å.