Materials Data on Nd5CuBi3 by Materials Project
Nd5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Nd–Bi bond lengths are 3.41 Å. In the second Nd site, Nd is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted face, edge, and corner-sharing NdCu2Bi5 pentagonal bipyramids. Both Nd–Cu bond lengths are 2.98 Å. There are a spread of Nd–Bi bond distances ranging from 3.27–3.52 Å. Cu is bonded to six equivalent Nd atoms to form face-sharing CuNd6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Nd atoms.
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