Materials Data on Nd2Fe17 by Materials Project
Nd2Fe17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Nd–Fe bond distances ranging from 3.05–3.30 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Nd and ten Fe atoms to form a mixture of face, edge, and corner-sharing FeNd2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.44–2.63 Å. In the second Fe site, Fe is bonded to two equivalent Nd and ten Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeNd2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.48–2.76 Å. In the third Fe site, Fe is bonded to three equivalent Nd and nine Fe atoms to form a mixture of face, edge, and corner-sharing FeNd3Fe9 cuboctahedra. There are two shorter (2.51 Å) and one longer (2.65 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Nd and thirteen Fe atoms. The Fe–Fe bond length is 2.42 Å.