Materials Data on MgCu4Sn by Materials Project

Abstract

MgCu4Sn crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent Sn atoms. All Mg–Cu bond lengths are 2.93 Å. All Mg–Sn bond lengths are 3.06 Å. Cu is bonded to three equivalent Mg, six equivalent Cu, and three equivalent Sn atoms to form a mixture of edge, face, and corner-sharing CuMg3Cu6Sn3 cuboctahedra. There are three shorter (2.49 Å) and three longer (2.51 Å) Cu–Cu bond lengths. All Cu–Sn bond lengths are 2.93 Å. Sn is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Cu atoms.