Materials Data on BaRe2Sn by Materials Project

Abstract

BaRe2Sn crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to ten Re and four equivalent Sn atoms. There are four shorter (3.04 Å) and six longer (3.52 Å) Ba–Re bond lengths. All Ba–Sn bond lengths are 3.04 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 4-coordinate geometry to six equivalent Ba, four equivalent Re, and four equivalent Sn atoms. All Re–Re bond lengths are 3.04 Å. All Re–Sn bond lengths are 3.04 Å. In the second Re site, Re is bonded to four equivalent Ba and four equivalent Re atoms to form distorted edge-sharing ReBa4Re4 tetrahedra. Sn is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Re atoms.