Materials Data on Sm5Ge4 by Materials Project

Abstract

Sm5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Sm–Ge bond distances ranging from 2.93–3.16 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.04–3.71 Å. In the third Sm site, Sm is bonded to six Ge atoms to form corner-sharing SmGe6 octahedra. The corner-sharing octahedra tilt angles range from 53–55°. There are a spread of Sm–Ge bond distances ranging from 3.04–3.22 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Sm and one Ge atom. The Ge–Ge bond length is 2.73 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Sm atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Sm and one Ge atom.