Materials Data on Ta3Ru by Materials Project

Abstract

Ta3Ru 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 Ru atoms to form a mixture of distorted edge, corner, and face-sharing TaTa4Ru4 tetrahedra. All Ta–Ta bond lengths are 2.80 Å. All Ta–Ru bond lengths are 2.80 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Ru atoms. All Ta–Ru bond lengths are 3.24 Å. Ru is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.