Materials Data on Ba3Te by Materials Project

Abstract

Ba3Te crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to eight Ba and four equivalent Te atoms to form a mixture of distorted corner, edge, and face-sharing BaBa8Te4 cuboctahedra. There are four shorter (3.79 Å) and four longer (4.29 Å) Ba–Ba bond lengths. All Ba–Te bond lengths are 4.29 Å. In the second Ba site, Ba is bonded in a square co-planar geometry to eight equivalent Ba and four equivalent Te atoms. All Ba–Te bond lengths are 3.79 Å. Te is bonded in a square co-planar geometry to twelve Ba atoms.