Materials Data on Sn2Pd3Au by Materials Project

Abstract

Pd3AuSn2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to three equivalent Au and five equivalent Sn atoms. There are two shorter (2.96 Å) and one longer (2.98 Å) Pd–Au bond lengths. There are a spread of Pd–Sn bond distances ranging from 2.69–2.92 Å. In the second Pd site, Pd is bonded in a distorted body-centered cubic geometry to two equivalent Au and six equivalent Sn atoms. Both Pd–Au bond lengths are 2.90 Å. There are four shorter (2.95 Å) and two longer (2.96 Å) Pd–Sn bond lengths. Au is bonded in a 8-coordinate geometry to eight Pd and six equivalent Sn atoms. There are two shorter (3.08 Å) and four longer (3.15 Å) Au–Sn bond lengths. Sn is bonded in a 11-coordinate geometry to eight Pd and three equivalent Au atoms.