Materials Data on Al4Ni3Pt by Materials Project

Abstract

PtNi3Al4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pt is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pt–Al bond lengths are 2.67 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to eight Al atoms. There are four shorter (2.50 Å) and four longer (2.51 Å) Ni–Al bond lengths. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ni–Al bond lengths are 2.50 Å. 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 Ni atoms.