Materials Data on KBa2Re by Materials Project

Abstract

KBa2Re crystallizes in the cubic F-43m space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Re atoms. All K–Ba bond lengths are 3.64 Å. All K–Re bond lengths are 3.64 Å. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Ba and four equivalent Re atoms to form distorted edge-sharing BaBa4Re4 tetrahedra. All Ba–Ba bond lengths are 3.64 Å. All Ba–Re bond lengths are 3.64 Å. In the second Ba site, Ba is bonded in a 4-coordinate geometry to four equivalent K, four equivalent Ba, and six equivalent Re atoms. All Ba–Re bond lengths are 4.21 Å. Re is bonded in a distorted body-centered cubic geometry to four equivalent K and ten Ba atoms.