Materials Data on Ce5Ge4 by Materials Project

Abstract

Ce5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ce–Ge bond distances ranging from 2.96–3.12 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.05–3.66 Å. In the third Ce site, Ce is bonded to six Ge atoms to form corner-sharing CeGe6 octahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Ce–Ge bond distances ranging from 3.07–3.20 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ce and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Ce atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Ce and one Ge atom.