Materials Data on ZrAlPt by Materials Project

Abstract

ZrPtAl crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to five Pt and six equivalent Al atoms. There are a spread of Zr–Pt bond distances ranging from 2.82–2.89 Å. There are a spread of Zr–Al bond distances ranging from 3.04–3.18 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Al atoms. All Pt–Al bond lengths are 2.70 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Al atoms. All Pt–Al bond lengths are 2.60 Å. Al is bonded in a 4-coordinate geometry to six equivalent Zr and four Pt atoms.