Materials Data on Er7Co6Sn23 by Materials Project

Abstract

Er7Co6Sn23 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to two equivalent Co and ten Sn atoms. Both Er–Co bond lengths are 3.17 Å. There are a spread of Er–Sn bond distances ranging from 3.08–3.41 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to six equivalent Co and twelve Sn atoms. All Er–Co bond lengths are 3.43 Å. There are six shorter (3.35 Å) and six longer (3.38 Å) Er–Sn bond lengths. Co is bonded in a 9-coordinate geometry to three Er and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.59–2.78 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to three equivalent Er, three equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.99 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Sn–Sn bond lengths are 2.99 Å. In the third Sn site, Sn is bonded in a 7-coordinate geometry to three Er, two equivalent Co, and two Sn atoms. The Sn–Sn bond length is 3.20 Å. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to four equivalent Er, one Co, and one Sn atom. In the fifth Sn site, Sn is bonded in a 12-coordinate geometry to three Er and two equivalent Co atoms. In the sixth Sn site, Sn is bonded in a 4-coordinate geometry to three equivalent Er and one Sn atom.