Materials Data on Lu2AlCo3 by Materials Project

Abstract

Lu2Co3Al crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu is bonded in a 9-coordinate geometry to four equivalent Lu, nine equivalent Co, and three equivalent Al atoms. There are one shorter (2.97 Å) and three longer (3.15 Å) Lu–Lu bond lengths. There are three shorter (2.81 Å) and six longer (3.02 Å) Lu–Co bond lengths. All Lu–Al bond lengths are 3.06 Å. Co is bonded to six equivalent Lu, four equivalent Co, and two equivalent Al atoms to form distorted CoLu6Al2Co4 cuboctahedra that share corners with four equivalent AlLu6Co6 cuboctahedra, corners with fourteen equivalent CoLu6Al2Co4 cuboctahedra, edges with six equivalent CoLu6Al2Co4 cuboctahedra, faces with six equivalent AlLu6Co6 cuboctahedra, and faces with twelve equivalent CoLu6Al2Co4 cuboctahedra. All Co–Co bond lengths are 2.62 Å. Both Co–Al bond lengths are 2.45 Å. Al is bonded to six equivalent Lu and six equivalent Co atoms to form distorted AlLu6Co6 cuboctahedra that share corners with six equivalent AlLu6Co6 cuboctahedra, corners with twelve equivalent CoLu6Al2Co4 cuboctahedra, edges with six equivalent AlLu6Co6 cuboctahedra, and faces with eighteen equivalent CoLu6Al2Co4 cuboctahedra.