Materials Data on Yb4Cu2Sn5 by Materials Project

Abstract

Yb4Cu2Sn5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to two equivalent Cu and seven Sn atoms. Both Yb–Cu bond lengths are 3.14 Å. There are a spread of Yb–Sn bond distances ranging from 3.23–3.81 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Cu and eight Sn atoms. All Yb–Cu bond lengths are 3.07 Å. There are a spread of Yb–Sn bond distances ranging from 3.24–3.45 Å. In the third Yb site, Yb is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.28–3.59 Å. Cu is bonded in a 9-coordinate geometry to four Yb and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.68–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to seven Yb, one Cu, and one Sn atom. The Sn–Sn bond length is 2.93 Å. In the second Sn site, Sn is bonded in a 10-coordinate geometry to five Yb, three equivalent Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.20 Å. In the third Sn site, Sn is bonded in a 12-coordinate geometry to six Yb, two equivalent Cu, and four equivalent Sn atoms.