Materials Data on BeGeB by Materials Project

Abstract

BeBGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to four equivalent B and four equivalent Ge atoms. All Be–B bond lengths are 2.22 Å. All Be–Ge bond lengths are 2.22 Å. B is bonded to four equivalent Be atoms to form BBe4 tetrahedra that share corners with four equivalent GeBe4 tetrahedra, corners with twelve equivalent BBe4 tetrahedra, and edges with six equivalent GeBe4 tetrahedra. Ge is bonded to four equivalent Be atoms to form GeBe4 tetrahedra that share corners with four equivalent BBe4 tetrahedra, corners with twelve equivalent GeBe4 tetrahedra, and edges with six equivalent BBe4 tetrahedra.