Dy4Fe5Al3 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 12-coordinate geometry to three equivalent Dy(2), three equivalent Fe(1), three equivalent Fe(2), and six equivalent Al(1) atoms. In the second Dy site, Dy(2) is bonded in a 16-coordinate geometry to one Dy(2), three equivalent Dy(1), three equivalent Fe(1), six equivalent Fe(2), and three equivalent Al(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Dy(1), three equivalent Dy(2), three equivalent Fe(2), and three equivalent Al(1) atoms to form FeDy6Al3Fe3 cuboctahedra that share corners with six equivalent Fe(2)Dy6Fe6 cuboctahedra, corners with six equivalent Al(1)Dy6Al4Fe2 cuboctahedra, edges with six equivalent Fe(1)Dy6Al3Fe3 cuboctahedra, faces with two equivalent Fe(1)Dy6Al3Fe3 cuboctahedra, faces with nine equivalent Fe(2)Dy6Fe6 cuboctahedra, and faces with nine equivalent Al(1)Dy6Al4Fe2 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Dy(1), four equivalent Dy(2), two equivalent Fe(1), and four equivalent Fe(2) atoms to form FeDy6Fe6 cuboctahedra that share corners with four equivalent Fe(1)Dy6Al3Fe3 cuboctahedra, corners with four equivalent Fe(2)Dy6Fe6 cuboctahedra, corners with ten equivalent Al(1)Dy6Al4Fe2 cuboctahedra, edges with two equivalent Fe(2)Dy6Fe6 cuboctahedra, edges with four equivalent Al(1)Dy6Al4Fe2 cuboctahedra, faces with four equivalent Al(1)Dy6Al4Fe2 cuboctahedra, faces with six equivalent Fe(1)Dy6Al3Fe3 cuboctahedra, and faces with eight equivalent Fe(2)Dy6Fe6 cuboctahedra. Al(1) is bonded to two equivalent Dy(2), four equivalent Dy(1), two equivalent Fe(1), and four equivalent Al(1) atoms to form AlDy6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(1)Dy6Al3Fe3 cuboctahedra, corners with four equivalent Al(1)Dy6Al4Fe2 cuboctahedra, corners with ten equivalent Fe(2)Dy6Fe6 cuboctahedra, edges with two equivalent Al(1)Dy6Al4Fe2 cuboctahedra, edges with four equivalent Fe(2)Dy6Fe6 cuboctahedra, faces with four equivalent Fe(2)Dy6Fe6 cuboctahedra, faces with six equivalent Fe(1)Dy6Al3Fe3 cuboctahedra, and faces with eight equivalent Al(1)Dy6Al4Fe2 cuboctahedra.
Dy4Fe5Al3 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 12-coordinate geometry to three equivalent Dy(2), three equivalent Fe(1), three equivalent Fe(2), and six equivalent Al(1) atoms. All Dy(1)-Dy(2) bond lengths are 3.26 Å. All Dy(1)-Fe(1) bond lengths are 3.15 Å. All Dy(1)-Fe(2) bond lengths are 2.96 Å. All Dy(1)-Al(1) bond lengths are 3.19 Å. In the second Dy site, Dy(2) is bonded in a 16-coordinate geometry to one Dy(2), three equivalent Dy(1), three equivalent Fe(1), six equivalent Fe(2), and three equivalent Al(1) atoms. The Dy(2)-Dy(2) bond length is 3.06 Å. All Dy(2)-Fe(1) bond lengths are 3.14 Å. All Dy(2)-Fe(2) bond lengths are 3.09 Å. All Dy(2)-Al(1) bond lengths are 3.14 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Dy(1), three equivalent Dy(2), three equivalent Fe(2), and three equivalent Al(1) atoms to form FeDy6Al3Fe3 cuboctahedra that share corners with six equivalent Fe(2)Dy6Fe6 cuboctahedra, corners with six equivalent Al(1)Dy6Al4Fe2 cuboctahedra, edges with six equivalent Fe(1)Dy6Al3Fe3 cuboctahedra, faces with two equivalent Fe(1)Dy6Al3Fe3 cuboctahedra, faces with nine equivalent Fe(2)Dy6Fe6 cuboctahedra, and faces with nine equivalent Al(1)Dy6Al4Fe2 cuboctahedra. All Fe(1)-Fe(2) bond lengths are 2.50 Å. All Fe(1)-Al(1) bond lengths are 2.72 Å. In the second Fe site, Fe(2) is bonded to two equivalent Dy(1), four equivalent Dy(2), two equivalent Fe(1), and four equivalent Fe(2) atoms to form FeDy6Fe6 cuboctahedra that share corners with four equivalent Fe(1)Dy6Al3Fe3 cuboctahedra, corners with four equivalent Fe(2)Dy6Fe6 cuboctahedra, corners with ten equivalent Al(1)Dy6Al4Fe2 cuboctahedra, edges with two equivalent Fe(2)Dy6Fe6 cuboctahedra, edges with four equivalent Al(1)Dy6Al4Fe2 cuboctahedra, faces with four equivalent Al(1)Dy6Al4Fe2 cuboctahedra, faces with six equivalent Fe(1)Dy6Al3Fe3 cuboctahedra, and faces with eight equivalent Fe(2)Dy6Fe6 cuboctahedra. There are two shorter (2.68 Å) and two longer (2.70 Å) Fe(2)-Fe(2) bond lengths. Al(1) is bonded to two equivalent Dy(2), four equivalent Dy(1), two equivalent Fe(1), and four equivalent Al(1) atoms to form AlDy6Al4Fe2 cuboctahedra that share corners with four equivalent Fe(1)Dy6Al3Fe3 cuboctahedra, corners with four equivalent Al(1)Dy6Al4Fe2 cuboctahedra, corners with ten equivalent Fe(2)Dy6Fe6 cuboctahedra, edges with two equivalent Al(1)Dy6Al4Fe2 cuboctahedra, edges with four equivalent Fe(2)Dy6Fe6 cuboctahedra, faces with four equivalent Fe(2)Dy6Fe6 cuboctahedra, faces with six equivalent Fe(1)Dy6Al3Fe3 cuboctahedra, and faces with eight equivalent Al(1)Dy6Al4Fe2 cuboctahedra. There are two shorter (2.63 Å) and two longer (2.75 Å) Al(1)-Al(1) bond lengths.