Materials Data on Ta3W by Materials Project

Abstract

Ta3W 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 W atoms to form a mixture of distorted edge, corner, and face-sharing TaTa4W4 tetrahedra. All Ta–Ta bond lengths are 2.84 Å. All Ta–W bond lengths are 2.84 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent W atoms. All Ta–W bond lengths are 3.28 Å. W is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.