Materials Data on NdCu3Pd2 by Materials Project

Abstract

NdCu3Pd2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to six equivalent Pd and ten Cu atoms. There are four shorter (3.01 Å) and two longer (3.04 Å) Nd–Pd bond lengths. There are a spread of Nd–Cu bond distances ranging from 3.02–3.27 Å. Pd is bonded to three equivalent Nd, two equivalent Pd, and seven Cu atoms to form a mixture of distorted corner, edge, and face-sharing PdNd3Cu7Pd2 cuboctahedra. There are one shorter (2.70 Å) and one longer (2.75 Å) Pd–Pd bond lengths. There are a spread of Pd–Cu bond distances ranging from 2.57–3.06 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Nd, four equivalent Pd, and five Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.51–3.14 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to four equivalent Nd, six equivalent Pd, and six equivalent Cu atoms.