Materials Data on Sn2Pd2Au by Materials Project

Abstract

Pd2AuSn2 crystallizes in the trigonal P3m1 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 Sn atoms. All Pd–Au bond lengths are 2.97 Å. There are a spread of Pd–Sn bond distances ranging from 2.66–2.90 Å. In the second Pd site, Pd is bonded in a distorted body-centered cubic geometry to two equivalent Au and six Sn atoms. There are one shorter (2.79 Å) and one longer (2.91 Å) Pd–Au bond lengths. There are three shorter (2.81 Å) and three longer (2.96 Å) Pd–Sn bond lengths. Au is bonded in a 11-coordinate geometry to five Pd and six Sn atoms. There are three shorter (2.97 Å) and three longer (3.23 Å) Au–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to five Pd and three equivalent Au atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Pd and three equivalent Au atoms.