Materials Data on Nd2Fe15Co2 by Materials Project

Abstract

Nd2Fe15Co2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to eighteen Fe and one Co atom. There are a spread of Nd–Fe bond distances ranging from 3.06–3.30 Å. The Nd–Co bond length is 3.09 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Nd, eight Fe, and two equivalent Co atoms to form a mixture of corner, edge, and face-sharing FeNd2Fe8Co2 cuboctahedra. There are four shorter (2.44 Å) and four longer (2.46 Å) Fe–Fe bond lengths. Both Fe–Co bond lengths are 2.63 Å. In the second Fe site, Fe is bonded to two equivalent Nd, eight Fe, and two equivalent Co atoms to form a mixture of distorted corner, edge, and face-sharing FeNd2Fe8Co2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.48–2.66 Å. Both Fe–Co bond lengths are 2.75 Å. In the third Fe site, Fe is bonded to three equivalent Nd, eight Fe, and one Co atom to form a mixture of corner, edge, and face-sharing FeNd3Fe8Co cuboctahedra. Both Fe–Fe bond lengths are 2.51 Å. The Fe–Co bond length is 2.65 Å. Co is bonded in a 8-coordinate geometry to one Nd, twelve Fe, and one Co atom. The Co–Co bond length is 2.33 Å.