Materials Data on Ta3Os by Materials Project

Abstract

Ta3Os 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 Os atoms to form a mixture of distorted edge, face, and corner-sharing TaTa4Os4 tetrahedra. All Ta–Ta bond lengths are 2.80 Å. All Ta–Os 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 Os atoms. All Ta–Os bond lengths are 3.24 Å. Os is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.