Materials Data on Nd5Ge4 by Materials Project

Abstract

Nd5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nd–Ge bond distances ranging from 2.97–3.23 Å. In the second Nd site, Nd is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Nd–Ge bond distances ranging from 3.07–3.78 Å. In the third Nd site, Nd is bonded to six Ge atoms to form corner-sharing NdGe6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Nd–Ge bond distances ranging from 3.10–3.28 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Nd and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to eight Nd atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Nd and one Ge atom.