Materials Data on NdCu4Pd by Materials Project

Abstract

NdCu4Pd crystallizes in the trigonal R3m space group. The structure is three-dimensional. Nd is bonded in a 3-coordinate geometry to three equivalent Pd and thirteen Cu atoms. All Nd–Pd bond lengths are 2.95 Å. There are a spread of Nd–Cu bond distances ranging from 3.02–3.15 Å. Pd is bonded to three equivalent Nd and nine Cu atoms to form a mixture of corner and edge-sharing PdNd3Cu9 cuboctahedra. There are a spread of Pd–Cu bond distances ranging from 2.57–2.98 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Nd, two equivalent Pd, and seven Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.51–3.23 Å. In the second Cu site, Cu is bonded in a 7-coordinate geometry to four equivalent Nd, three equivalent Pd, and nine equivalent Cu atoms.