Materials Data on Nd2Co17 by Materials Project

Abstract

Nd2Co17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Nd–Co bond distances ranging from 3.02–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Nd and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.66 Å. In the second Co site, Co is bonded to two equivalent Nd and ten Co atoms to form CoNd2Co10 cuboctahedra that share corners with fourteen CoNd2Co10 cuboctahedra, edges with six equivalent CoNd3Co9 cuboctahedra, and faces with ten CoNd2Co10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.40 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.60 Å. In the fourth Co site, Co is bonded to three equivalent Nd and nine Co atoms to form a mixture of edge, corner, and face-sharing CoNd3Co9 cuboctahedra. Both Co–Co bond lengths are 2.48 Å.