Materials Data on U2AlCo3 by Materials Project

Abstract

U2Co3Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to four equivalent U, nine equivalent Co, and three equivalent Al atoms. There are one shorter (2.75 Å) and three longer (3.16 Å) U–U bond lengths. There are three shorter (2.84 Å) and six longer (2.92 Å) U–Co bond lengths. All U–Al bond lengths are 3.02 Å. Co is bonded to six equivalent U, four equivalent Co, and two equivalent Al atoms to form distorted CoU6Al2Co4 cuboctahedra that share corners with four equivalent AlU6Co6 cuboctahedra, corners with fourteen equivalent CoU6Al2Co4 cuboctahedra, edges with six equivalent CoU6Al2Co4 cuboctahedra, faces with six equivalent AlU6Co6 cuboctahedra, and faces with twelve equivalent CoU6Al2Co4 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.63 Å) Co–Co bond lengths. Both Co–Al bond lengths are 2.44 Å. Al is bonded to six equivalent U and six equivalent Co atoms to form distorted AlU6Co6 cuboctahedra that share corners with twelve equivalent CoU6Al2Co4 cuboctahedra, edges with six equivalent AlU6Co6 cuboctahedra, faces with two equivalent AlU6Co6 cuboctahedra, and faces with eighteen equivalent CoU6Al2Co4 cuboctahedra.