Materials Data on Zn3(SnPt)2 by Materials Project

Abstract

Zn3(PtSn)2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a body-centered cubic geometry to two equivalent Zn and six equivalent Sn atoms. Both Pt–Zn bond lengths are 2.64 Å. All Pt–Sn bond lengths are 2.78 Å. In the second Pt site, Pt is bonded in a 11-coordinate geometry to nine Zn and two equivalent Sn atoms. There are three shorter (2.55 Å) and six longer (2.84 Å) Pt–Zn bond lengths. Both Pt–Sn bond lengths are 2.78 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 1-coordinate geometry to four Pt, four Zn, and three equivalent Sn atoms. There are one shorter (2.52 Å) and three longer (2.84 Å) Zn–Zn bond lengths. All Zn–Sn bond lengths are 2.97 Å. In the second Zn site, Zn is bonded in a trigonal planar geometry to three equivalent Pt and six equivalent Zn atoms. Sn is bonded in a 4-coordinate geometry to four Pt and three equivalent Zn atoms.