Materials Data on ScInNi4 by Materials Project

Abstract

ScNi4In 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 Ni and four equivalent In atoms. All Sc–Ni bond lengths are 2.86 Å. All Sc–In bond lengths are 2.99 Å. Ni is bonded to three equivalent Sc, six equivalent Ni, and three equivalent In atoms to form a mixture of face, edge, and corner-sharing NiSc3In3Ni6 cuboctahedra. There are three shorter (2.44 Å) and three longer (2.45 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.86 Å. In is bonded in a 4-coordinate geometry to four equivalent Sc and twelve equivalent Ni atoms.