Materials Data on Nd4Ge3Rh4 by Materials Project

Abstract

Nd4Rh4Ge3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 11-coordinate geometry to seven Rh and four Ge atoms. There are a spread of Nd–Rh bond distances ranging from 3.04–3.42 Å. There are a spread of Nd–Ge bond distances ranging from 3.10–3.42 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to five Rh and five Ge atoms. There are a spread of Nd–Rh bond distances ranging from 2.94–3.15 Å. There are a spread of Nd–Ge bond distances ranging from 3.07–3.40 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are one shorter (2.64 Å) and two longer (2.65 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six Nd and three equivalent Ge atoms. There are one shorter (2.50 Å) and two longer (2.53 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to eight Nd and four equivalent Rh atoms to form a mixture of distorted face and edge-sharing GeNd8Rh4 cuboctahedra. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Nd and four Rh atoms.