Materials Data on Dy2Al3Fe by Materials Project

Abstract

Dy2FeAl3 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 Fe, and nine equivalent Al atoms. There are one shorter (3.29 Å) and three longer (3.35 Å) Dy–Dy bond lengths. All Dy–Fe bond lengths are 3.22 Å. There are three shorter (3.14 Å) and six longer (3.20 Å) Dy–Al bond lengths. Fe is bonded to six equivalent Dy and six equivalent Al atoms to form FeDy6Al6 cuboctahedra that share corners with six equivalent FeDy6Al6 cuboctahedra, corners with twelve equivalent AlDy6Al4Fe2 cuboctahedra, edges with six equivalent FeDy6Al6 cuboctahedra, and faces with eighteen equivalent AlDy6Al4Fe2 cuboctahedra. All Fe–Al bond lengths are 2.69 Å. Al is bonded to six equivalent Dy, two equivalent Fe, and four equivalent Al atoms to form AlDy6Al4Fe2 cuboctahedra that share corners with four equivalent FeDy6Al6 cuboctahedra, corners with fourteen equivalent AlDy6Al4Fe2 cuboctahedra, edges with six equivalent AlDy6Al4Fe2 cuboctahedra, faces with six equivalent FeDy6Al6 cuboctahedra, and faces with twelve equivalent AlDy6Al4Fe2 cuboctahedra. All Al–Al bond lengths are 2.75 Å.