Materials Data on Ta3Pt by Materials Project

Abstract

Ta3Pt is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Pt atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4Pt4 tetrahedra. All Ta–Ta bond lengths are 2.83 Å. All Ta–Pt bond lengths are 2.83 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Pt atoms. All Ta–Pt bond lengths are 3.27 Å. Pt is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.