Materials Data on Ta10Al6B by Materials Project

Abstract

Ta10Al6B crystallizes in the trigonal P-31m space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 8-coordinate geometry to two equivalent Ta and six equivalent Al atoms. Both Ta–Ta bond lengths are 2.65 Å. All Ta–Al bond lengths are 2.73 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to two equivalent Ta and six equivalent Al atoms. All Ta–Al bond lengths are 2.74 Å. In the third Ta site, Ta is bonded in a distorted single-bond geometry to five equivalent Al and one B atom. There are a spread of Ta–Al bond distances ranging from 2.74–2.96 Å. The Ta–B bond length is 2.32 Å. Al is bonded in a 9-coordinate geometry to nine Ta atoms. B is bonded in an octahedral geometry to six equivalent Ta atoms.