Materials Data on Al3Pt2 by Materials Project

Abstract

Al3Pt2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 7-coordinate geometry to seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.54–2.83 Å. In the second Pt site, Pt is bonded in a 7-coordinate geometry to seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–2.75 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to five Pt and three equivalent Al atoms. All Al–Al bond lengths are 2.67 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to six equivalent Pt atoms. In the third Al site, Al is bonded in a distorted body-centered cubic geometry to six equivalent Pt and two equivalent Al atoms. Both Al–Al bond lengths are 2.52 Å. In the fourth Al site, Al is bonded in a 11-coordinate geometry to three equivalent Pt and four Al atoms.