Materials Data on LiAlGe by Materials Project

Abstract

LiAlGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Al and four equivalent Ge atoms. All Li–Al bond lengths are 2.55 Å. All Li–Ge bond lengths are 2.55 Å. Al is bonded to four equivalent Li and six equivalent Ge atoms to form distorted AlLi4Ge6 tetrahedra that share corners with four equivalent GeLi4Al6 tetrahedra, corners with six equivalent AlLi4Ge6 tetrahedra, edges with six equivalent GeLi4Al6 tetrahedra, and faces with twelve equivalent AlLi4Ge6 tetrahedra. All Al–Ge bond lengths are 2.94 Å. Ge is bonded to four equivalent Li and six equivalent Al atoms to form distorted GeLi4Al6 tetrahedra that share corners with four equivalent AlLi4Ge6 tetrahedra, corners with six equivalent GeLi4Al6 tetrahedra, edges with six equivalent AlLi4Ge6 tetrahedra, and faces with twelve equivalent GeLi4Al6 tetrahedra.