Materials Data on NdNi5 by Materials Project
NdNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.86 Å) and twelve longer (3.17 Å) Nd–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.44 Å. In the second Ni site, Ni is bonded to four equivalent Nd and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiNd4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.48 Å.
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