Materials Data on Cu6Sn5 by Materials Project

Abstract

Cu6Sn5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to three Cu and six Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.56–2.65 Å. There are a spread of Cu–Sn bond distances ranging from 2.70–2.85 Å. In the second Cu site, Cu is bonded in a distorted q6 geometry to three Cu and six Sn atoms. There are one shorter (2.55 Å) and one longer (2.66 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.70–2.86 Å. In the third Cu site, Cu is bonded in a distorted q6 geometry to four Cu and six Sn atoms. Both Cu–Cu bond lengths are 2.74 Å. There are a spread of Cu–Sn bond distances ranging from 2.81–2.88 Å. In the fourth Cu site, Cu is bonded in a 11-coordinate geometry to six Cu and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.67–2.74 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to seven Cu atoms.