Materials Data on Ta2Sn3 by Materials Project

Abstract

Ta2Sn3 crystallizes in the orthorhombic F222 space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and six Sn atoms. Both Ta–Ta bond lengths are 2.88 Å. There are a spread of Ta–Sn bond distances ranging from 2.83–2.95 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and six Sn atoms. There are a spread of Ta–Sn bond distances ranging from 2.87–2.99 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four Ta atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to four Ta and three Sn atoms. There are one shorter (2.87 Å) and two longer (2.98 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a distorted hexagonal planar geometry to four Ta and two equivalent Sn atoms.