Materials Data on Sc2AlCo3 by Materials Project

Abstract

Sc2Co3Al is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sc is bonded in a 9-coordinate geometry to four equivalent Sc, nine equivalent Co, and three equivalent Al atoms. There are one shorter (2.90 Å) and three longer (3.08 Å) Sc–Sc bond lengths. There are three shorter (2.77 Å) and six longer (2.93 Å) Sc–Co bond lengths. All Sc–Al bond lengths are 2.98 Å. Co is bonded to six equivalent Sc, four equivalent Co, and two equivalent Al atoms to form distorted CoSc6Al2Co4 cuboctahedra that share corners with four equivalent AlSc6Co6 cuboctahedra, corners with fourteen equivalent CoSc6Al2Co4 cuboctahedra, edges with six equivalent CoSc6Al2Co4 cuboctahedra, faces with six equivalent AlSc6Co6 cuboctahedra, and faces with twelve equivalent CoSc6Al2Co4 cuboctahedra. All Co–Co bond lengths are 2.55 Å. Both Co–Al bond lengths are 2.40 Å. Al is bonded to six equivalent Sc and six equivalent Co atoms to form distorted AlSc6Co6 cuboctahedra that share corners with six equivalent AlSc6Co6 cuboctahedra, corners with twelve equivalent CoSc6Al2Co4 cuboctahedra, edges with six equivalent AlSc6Co6 cuboctahedra, and faces with eighteen equivalent CoSc6Al2Co4 cuboctahedra.