Materials Data on Lu4Ge6Rh7 by Materials Project

Abstract

Lu4Rh7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Lu is bonded to six equivalent Rh and six equivalent Ge atoms to form LuGe6Rh6 cuboctahedra that share corners with twelve equivalent LuGe6Rh6 cuboctahedra, faces with six equivalent LuGe6Rh6 cuboctahedra, and faces with two equivalent RhGe6 octahedra. All Lu–Rh bond lengths are 2.94 Å. All Lu–Ge bond lengths are 3.00 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Ge atoms to form RhGe6 octahedra that share faces with eight equivalent LuGe6Rh6 cuboctahedra. All Rh–Ge bond lengths are 2.65 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Lu and four equivalent Ge atoms. All Rh–Ge bond lengths are 2.57 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Lu and five Rh atoms.