Materials Data on ScInCu4 by Materials Project

Abstract

ScCu4In is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent In atoms. All Sc–Cu bond lengths are 2.93 Å. All Sc–In bond lengths are 3.07 Å. Cu is bonded to three equivalent Sc, six equivalent Cu, and three equivalent In atoms to form a mixture of edge, face, and corner-sharing CuSc3In3Cu6 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.51 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 2.94 Å. In is bonded in a 4-coordinate geometry to four equivalent Sc and twelve equivalent Cu atoms.