Materials Data on NdFe5 by Materials Project
NdFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.97 Å) and twelve longer (3.24 Å) Nd–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Fe atoms. All Fe–Fe bond lengths are 2.47 Å. In the second Fe site, Fe is bonded to four equivalent Nd and eight Fe atoms to form a mixture of edge, face, and corner-sharing FeNd4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å.
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