Materials Data on Li2GeAu by Materials Project

Abstract

Li2AuGe crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six equivalent Au and four equivalent Ge atoms to form distorted LiGe4Au6 tetrahedra that share corners with eighteen LiAu4 tetrahedra and faces with sixteen LiGe4Au6 tetrahedra. All Li–Au bond lengths are 3.13 Å. All Li–Ge bond lengths are 2.71 Å. In the second Li site, Li is bonded to four equivalent Au atoms to form distorted LiAu4 tetrahedra that share corners with twenty-four LiAu4 tetrahedra and faces with four equivalent LiGe4Au6 tetrahedra. All Li–Au bond lengths are 2.71 Å. Au is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Ge atoms. All Au–Ge bond lengths are 2.71 Å. Ge is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Au atoms.