Materials Data on Lu4Ge6Ru7 by Materials Project

Abstract

Lu4Ru7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Lu is bonded to six equivalent Ru and six equivalent Ge atoms to form LuGe6Ru6 cuboctahedra that share corners with twelve equivalent LuGe6Ru6 cuboctahedra, faces with six equivalent LuGe6Ru6 cuboctahedra, and faces with two equivalent RuGe6 octahedra. All Lu–Ru bond lengths are 2.94 Å. All Lu–Ge bond lengths are 2.99 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Ge atoms to form RuGe6 octahedra that share faces with eight equivalent LuGe6Ru6 cuboctahedra. All Ru–Ge bond lengths are 2.61 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Lu and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.59 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Lu and five Ru atoms.