Materials Data on ZrAlPt by Materials Project

Abstract

ZrPtAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Pt and six equivalent Al atoms. There are four shorter (2.85 Å) and one longer (2.87 Å) Zr–Pt bond lengths. There are two shorter (3.06 Å) and four longer (3.12 Å) Zr–Al bond lengths. There are two inequivalent Pt sites. In the first 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. In the second 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. Al is bonded in a 4-coordinate geometry to six equivalent Zr and four Pt atoms.