Materials Data on Nd2Zn15Ge2 by Materials Project

Abstract

Nd2Zn15Ge2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to eighteen Zn and one Ge atom. There are a spread of Nd–Zn bond distances ranging from 3.22–3.46 Å. The Nd–Ge bond length is 3.04 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Nd, eight Zn, and two equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing ZnNd2Zn8Ge2 cuboctahedra. There are four shorter (2.60 Å) and four longer (2.75 Å) Zn–Zn bond lengths. Both Zn–Ge bond lengths are 2.83 Å. In the second Zn site, Zn is bonded to two equivalent Nd, eight Zn, and two equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing ZnNd2Zn8Ge2 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.70–2.88 Å. Both Zn–Ge bond lengths are 3.15 Å. In the third Zn site, Zn is bonded to three equivalent Nd, eight Zn, and one Ge atom to form a mixture of distorted face, edge, and corner-sharing ZnNd3Zn8Ge cuboctahedra. Both Zn–Zn bond lengths are 2.58 Å. The Zn–Ge bond length is 2.99 Å. Ge is bonded in a 8-coordinate geometry to one Nd, twelve Zn, and one Ge atom. The Ge–Ge bond length is 2.57 Å.