Materials Data on Yb2Al3Cu by Materials Project

Abstract

Yb2CuAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to three equivalent Cu and nine equivalent Al atoms. All Yb–Cu bond lengths are 3.25 Å. There are three shorter (3.24 Å) and six longer (3.25 Å) Yb–Al bond lengths. Cu is bonded to six equivalent Yb and six equivalent Al atoms to form CuYb6Al6 cuboctahedra that share corners with six equivalent CuYb6Al6 cuboctahedra, corners with twelve equivalent AlYb6Al4Cu2 cuboctahedra, edges with six equivalent CuYb6Al6 cuboctahedra, and faces with eighteen equivalent AlYb6Al4Cu2 cuboctahedra. All Cu–Al bond lengths are 2.77 Å. Al is bonded to six equivalent Yb, two equivalent Cu, and four equivalent Al atoms to form AlYb6Al4Cu2 cuboctahedra that share corners with four equivalent CuYb6Al6 cuboctahedra, corners with fourteen equivalent AlYb6Al4Cu2 cuboctahedra, edges with six equivalent AlYb6Al4Cu2 cuboctahedra, faces with six equivalent CuYb6Al6 cuboctahedra, and faces with twelve equivalent AlYb6Al4Cu2 cuboctahedra. All Al–Al bond lengths are 2.77 Å.