Materials Data on NdMgCu4 by Materials Project

Abstract

NdMgCu4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Nd and twelve equivalent Cu atoms. All Mg–Nd bond lengths are 3.16 Å. All Mg–Cu bond lengths are 3.02 Å. Nd is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Cu atoms. All Nd–Cu bond lengths are 3.03 Å. Cu is bonded to three equivalent Mg, three equivalent Nd, and six equivalent Cu atoms to form a mixture of face, edge, and corner-sharing CuNd3Mg3Cu6 cuboctahedra. There are three shorter (2.54 Å) and three longer (2.63 Å) Cu–Cu bond lengths.