Materials Data on NdCu4Ag by Materials Project

Abstract

NdAgCu4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Ag and twelve equivalent Cu atoms. All Nd–Ag bond lengths are 3.14 Å. All Nd–Cu bond lengths are 3.01 Å. Ag is bonded in a 4-coordinate geometry to four equivalent Nd and twelve equivalent Cu atoms. All Ag–Cu bond lengths are 3.00 Å. Cu is bonded to three equivalent Nd, three equivalent Ag, and six equivalent Cu atoms to form a mixture of corner, edge, and face-sharing CuNd3Cu6Ag3 cuboctahedra. There are three shorter (2.52 Å) and three longer (2.61 Å) Cu–Cu bond lengths.