Hf6Rh7Al16 crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1), four equivalent Rh(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded to four equivalent Hf(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted RhHf4Al8 cuboctahedra that share corners with four equivalent Rh(2)Hf4Al8 cuboctahedra, corners with eight equivalent Al(2)Hf3Rh4 tetrahedra, edges with four equivalent Al(2)Hf3Rh4 tetrahedra, and faces with eight equivalent Rh(2)Hf4Al8 cuboctahedra. In the second Rh site, Rh(1) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded to three equivalent Hf(1), one Rh(1), and three equivalent Rh(2) atoms to form distorted AlHf3Rh4 tetrahedra that share corners with six equivalent Rh(2)Hf4Al8 cuboctahedra, corners with seven equivalent Al(2)Hf3Rh4 tetrahedra, edges with three equivalent Rh(2)Hf4Al8 cuboctahedra, edges with three equivalent Al(2)Hf3Rh4 tetrahedra, and faces with three equivalent Al(2)Hf3Rh4 tetrahedra. In the second Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Hf(1) and three equivalent Rh(2) atoms.
Hf6Rh7Al16 crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1), four equivalent Rh(2), four equivalent Al(1), and four equivalent Al(2) atoms. All Hf(1)-Hf(1) bond lengths are 3.21 Å. All Hf(1)-Rh(2) bond lengths are 3.15 Å. All Hf(1)-Al(1) bond lengths are 2.83 Å. All Hf(1)-Al(2) bond lengths are 3.14 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded to four equivalent Hf(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted RhHf4Al8 cuboctahedra that share corners with four equivalent Rh(2)Hf4Al8 cuboctahedra, corners with eight equivalent Al(2)Hf3Rh4 tetrahedra, edges with four equivalent Al(2)Hf3Rh4 tetrahedra, and faces with eight equivalent Rh(2)Hf4Al8 cuboctahedra. All Rh(2)-Al(1) bond lengths are 2.49 Å. All Rh(2)-Al(2) bond lengths are 2.68 Å. In the second Rh site, Rh(1) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. All Rh(1)-Al(2) bond lengths are 2.52 Å. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded to three equivalent Hf(1), one Rh(1), and three equivalent Rh(2) atoms to form distorted AlHf3Rh4 tetrahedra that share corners with six equivalent Rh(2)Hf4Al8 cuboctahedra, corners with seven equivalent Al(2)Hf3Rh4 tetrahedra, edges with three equivalent Rh(2)Hf4Al8 cuboctahedra, edges with three equivalent Al(2)Hf3Rh4 tetrahedra, and faces with three equivalent Al(2)Hf3Rh4 tetrahedra. In the second Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Hf(1) and three equivalent Rh(2) atoms.