Materials Data on UAlCo by Materials Project

Abstract

UCoAl crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to six equivalent Co and six equivalent Al atoms. There are two shorter (2.73 Å) and four longer (3.10 Å) U–Co bond lengths. There are four shorter (3.07 Å) and two longer (3.09 Å) U–Al bond lengths. Co is bonded to six equivalent U, two equivalent Co, and four equivalent Al atoms to form distorted CoU6Al4Co2 cuboctahedra that share corners with eight equivalent AlU6Al2Co4 cuboctahedra, corners with ten equivalent CoU6Al4Co2 cuboctahedra, edges with six equivalent CoU6Al4Co2 cuboctahedra, faces with six equivalent CoU6Al4Co2 cuboctahedra, and faces with twelve equivalent AlU6Al2Co4 cuboctahedra. Both Co–Co bond lengths are 2.71 Å. All Co–Al bond lengths are 2.55 Å. Al is bonded to six equivalent U, four equivalent Co, and two equivalent Al atoms to form distorted AlU6Al2Co4 cuboctahedra that share corners with eight equivalent CoU6Al4Co2 cuboctahedra, corners with ten equivalent AlU6Al2Co4 cuboctahedra, edges with six equivalent AlU6Al2Co4 cuboctahedra, faces with six equivalent AlU6Al2Co4 cuboctahedra, and faces with twelve equivalent CoU6Al4Co2 cuboctahedra. Both Al–Al bond lengths are 2.57 Å.