Materials Data on Dy2Al3Cu by Materials Project

Abstract

Dy2CuAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Dy, three equivalent Cu, and nine equivalent Al atoms. There are one shorter (3.25 Å) and three longer (3.40 Å) Dy–Dy bond lengths. All Dy–Cu bond lengths are 3.25 Å. There are three shorter (3.19 Å) and six longer (3.22 Å) Dy–Al bond lengths. Cu is bonded to six equivalent Dy and six equivalent Al atoms to form CuDy6Al6 cuboctahedra that share corners with six equivalent CuDy6Al6 cuboctahedra, corners with twelve equivalent AlDy6Al4Cu2 cuboctahedra, edges with six equivalent CuDy6Al6 cuboctahedra, and faces with eighteen equivalent AlDy6Al4Cu2 cuboctahedra. All Cu–Al bond lengths are 2.72 Å. Al is bonded to six equivalent Dy, two equivalent Cu, and four equivalent Al atoms to form distorted AlDy6Al4Cu2 cuboctahedra that share corners with four equivalent CuDy6Al6 cuboctahedra, corners with fourteen equivalent AlDy6Al4Cu2 cuboctahedra, edges with six equivalent AlDy6Al4Cu2 cuboctahedra, faces with six equivalent CuDy6Al6 cuboctahedra, and faces with twelve equivalent AlDy6Al4Cu2 cuboctahedra. All Al–Al bond lengths are 2.77 Å.