Materials Data on Er5Ge4 by Materials Project

Abstract

Er5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.83–3.02 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.94–3.44 Å. In the third Er site, Er is bonded to six Ge atoms to form corner-sharing ErGe6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Er–Ge bond distances ranging from 2.90–3.12 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Er and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Er atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Er and one Ge atom.