Materials Data on Nd2Zn17 by Materials Project

Abstract

Nd2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to nineteen Zn atoms. There are a spread of Nd–Zn bond distances ranging from 3.15–3.48 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Nd and nine Zn atoms to form distorted ZnNd3Zn9 cuboctahedra that share corners with twenty-three ZnNd2Zn10 cuboctahedra, edges with ten ZnNd2Zn10 cuboctahedra, and faces with twenty ZnNd3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.58–2.88 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Nd and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.96 Å. In the third Zn site, Zn is bonded to two equivalent Nd and ten Zn atoms to form ZnNd2Zn10 cuboctahedra that share corners with twenty-two ZnNd2Zn10 cuboctahedra, edges with ten ZnNd2Zn10 cuboctahedra, and faces with eighteen ZnNd3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.60 Å. In the fourth Zn site, Zn is bonded to two equivalent Nd and ten Zn atoms to form distorted ZnNd2Zn10 cuboctahedra that share corners with twenty-four ZnNd2Zn10 cuboctahedra, edges with five ZnNd2Zn10 cuboctahedra, and faces with twenty-one ZnNd3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.66 Å.