Materials Data on ScCdNi4 by Materials Project

Abstract

ScNi4Cd 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 Cd atoms. All Sc–Ni bond lengths are 2.87 Å. All Sc–Cd bond lengths are 2.99 Å. Ni is bonded to three equivalent Sc, six equivalent Ni, and three equivalent Cd atoms to form a mixture of corner, edge, and face-sharing NiSc3Cd3Ni6 cuboctahedra. There are three shorter (2.43 Å) and three longer (2.46 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.86 Å. Cd is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Ni atoms.