Materials Data on YMgCu4 by Materials Project

Abstract

YMgCu4 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 Y and twelve equivalent Cu atoms. All Mg–Y bond lengths are 3.13 Å. All Mg–Cu bond lengths are 2.99 Å. Y is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Cu atoms. All Y–Cu bond lengths are 3.00 Å. Cu is bonded to three equivalent Mg, three equivalent Y, and six equivalent Cu atoms to form a mixture of edge, face, and corner-sharing CuY3Mg3Cu6 cuboctahedra. There are three shorter (2.53 Å) and three longer (2.58 Å) Cu–Cu bond lengths.