Materials Data on Ta5Ga2Sn by Materials Project

Abstract

Ta5SnGa2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 7-coordinate geometry to one Ta, four equivalent Ga, and two equivalent Sn atoms. The Ta–Ta bond length is 2.77 Å. There are a spread of Ta–Ga bond distances ranging from 2.73–3.01 Å. Both Ta–Sn bond lengths are 2.89 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and four equivalent Ga atoms. Both Ta–Ta bond lengths are 2.67 Å. All Ta–Ga bond lengths are 2.79 Å. Ga is bonded in a 10-coordinate geometry to ten Ta atoms. Sn is bonded in a 10-coordinate geometry to eight equivalent Ta and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.67 Å.