Materials Data on Y2AlCo3 by Materials Project

Abstract

Y2Co3Al crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to four equivalent Y, nine equivalent Co, and three equivalent Al atoms. There are one shorter (3.02 Å) and three longer (3.22 Å) Y–Y bond lengths. There are three shorter (2.86 Å) and six longer (3.08 Å) Y–Co bond lengths. All Y–Al bond lengths are 3.13 Å. Co is bonded to six equivalent Y, four equivalent Co, and two equivalent Al atoms to form distorted CoY6Al2Co4 cuboctahedra that share corners with four equivalent AlY6Co6 cuboctahedra, corners with fourteen equivalent CoY6Al2Co4 cuboctahedra, edges with six equivalent CoY6Al2Co4 cuboctahedra, faces with six equivalent AlY6Co6 cuboctahedra, and faces with twelve equivalent CoY6Al2Co4 cuboctahedra. All Co–Co bond lengths are 2.68 Å. Both Co–Al bond lengths are 2.49 Å. Al is bonded to six equivalent Y and six equivalent Co atoms to form distorted AlY6Co6 cuboctahedra that share corners with six equivalent AlY6Co6 cuboctahedra, corners with twelve equivalent CoY6Al2Co4 cuboctahedra, edges with six equivalent AlY6Co6 cuboctahedra, and faces with eighteen equivalent CoY6Al2Co4 cuboctahedra.