Materials Data on Nd2Fe by Materials Project
Nd2Fe crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted hexagonal planar geometry to six equivalent Fe atoms. All Nd–Fe bond lengths are 3.10 Å. In the second Nd site, Nd is bonded in a linear geometry to two equivalent Fe atoms. Both Nd–Fe bond lengths are 2.66 Å. In the third Nd site, Nd is bonded in a distorted single-bond geometry to four equivalent Fe atoms. There are one shorter (2.49 Å) and three longer (3.22 Å) Nd–Fe bond lengths. Fe is bonded in a 2-coordinate geometry to eight Nd atoms.
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