Materials Data on Tm5Ge4 by Materials Project

Abstract

Tm5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.82–3.00 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.93–3.42 Å. In the third Tm site, Tm is bonded to six Ge atoms to form corner-sharing TmGe6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Tm–Ge bond distances ranging from 2.88–3.09 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Tm and one Ge atom. The Ge–Ge bond length is 2.74 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Tm atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Tm and one Ge atom.