Materials Data on Nd3(GeRh)2 by Materials Project

Abstract

Nd3(RhGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Rh and five Ge atoms. There are two shorter (3.15 Å) and two longer (3.17 Å) Nd–Rh bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.06–3.37 Å. In the second Nd site, Nd is bonded in a 7-coordinate geometry to four equivalent Rh and five Ge atoms. There are a spread of Nd–Rh bond distances ranging from 2.94–3.23 Å. There are a spread of Nd–Ge bond distances ranging from 3.09–3.42 Å. Rh is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.56–2.63 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Nd and two equivalent Rh atoms. In the second Ge site, Ge is bonded to eight Nd and four equivalent Rh atoms to form a mixture of distorted corner, edge, and face-sharing GeNd8Rh4 cuboctahedra.