Materials Data on Lu5Ge4 by Materials Project

Abstract

Lu5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.82–2.98 Å. In the second Lu site, Lu is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.92–3.56 Å. In the third Lu site, Lu is bonded to six Ge atoms to form corner-sharing LuGe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Lu–Ge bond distances ranging from 2.88–3.02 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Lu and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to eight Lu atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Lu and one Ge atom.