Materials Data on ScNi4Au by Materials Project

Abstract

ScNi4Au is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 4-coordinate geometry to twelve equivalent Ni and four equivalent Au atoms. All Sc–Ni bond lengths are 2.83 Å. All Sc–Au bond lengths are 2.95 Å. Ni is bonded to three equivalent Sc, six equivalent Ni, and three equivalent Au atoms to form a mixture of edge, face, and corner-sharing NiSc3Ni6Au3 cuboctahedra. There are three shorter (2.41 Å) and three longer (2.42 Å) Ni–Ni bond lengths. All Ni–Au bond lengths are 2.83 Å. Au is bonded in a 4-coordinate geometry to four equivalent Sc and twelve equivalent Ni atoms.