Materials Data on AlPt3 by Materials Project

Abstract

Pt3Al crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Pt and four equivalent Al atoms. All Pt–Pt bond lengths are 2.74 Å. There are two shorter (2.62 Å) and two longer (2.83 Å) Pt–Al bond lengths. In the second Pt site, Pt is bonded in a 10-coordinate geometry to ten Pt and four equivalent Al atoms. There are a spread of Pt–Pt bond distances ranging from 2.74–2.89 Å. All Pt–Al bond lengths are 3.29 Å. In the third Pt site, Pt is bonded in a 8-coordinate geometry to four equivalent Pt and four equivalent Al atoms. There are two shorter (2.54 Å) and two longer (2.97 Å) Pt–Al bond lengths. Al is bonded in a 8-coordinate geometry to twelve Pt atoms.