Materials Data on Al3Ni2Pt by Materials Project

Abstract

PtNi2Al3 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pt is bonded in a distorted body-centered cubic geometry to eight equivalent Al atoms. All Pt–Al bond lengths are 2.66 Å. Ni is bonded in a distorted body-centered cubic geometry to eight Al atoms. There are four shorter (2.49 Å) and four longer (2.56 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Ni atoms. In the second Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.