Yb8GaAl3 is Cubic Laves-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one Yb(3), one Yb(4), four equivalent Yb(1), two equivalent Ga(1), one Al(1), one Al(3), and two equivalent Al(2) atoms to form YbYb6Al4Ga2 cuboctahedra that share corners with two equivalent Yb(3)Yb6Al3Ga3 cuboctahedra, corners with two equivalent Yb(4)Yb6Al6 cuboctahedra, corners with four equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, corners with ten equivalent Yb(2)Yb6Al5Ga cuboctahedra, edges with two equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, edges with four equivalent Yb(2)Yb6Al5Ga cuboctahedra, faces with three equivalent Yb(3)Yb6Al3Ga3 cuboctahedra, faces with three equivalent Yb(4)Yb6Al6 cuboctahedra, faces with four equivalent Yb(2)Yb6Al5Ga cuboctahedra, and faces with eight equivalent Yb(1)Yb6Al4Ga2 cuboctahedra. In the second Yb site, Yb(2) is bonded to one Yb(3), one Yb(4), four equivalent Yb(2), one Ga(1), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms to form YbYb6Al5Ga cuboctahedra that share corners with two equivalent Yb(3)Yb6Al3Ga3 cuboctahedra, corners with two equivalent Yb(4)Yb6Al6 cuboctahedra, corners with four equivalent Yb(2)Yb6Al5Ga cuboctahedra, corners with ten equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, edges with two equivalent Yb(2)Yb6Al5Ga cuboctahedra, edges with four equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, faces with three equivalent Yb(3)Yb6Al3Ga3 cuboctahedra, faces with three equivalent Yb(4)Yb6Al6 cuboctahedra, faces with four equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, and faces with eight equivalent Yb(2)Yb6Al5Ga cuboctahedra. In the third Yb site, Yb(3) is bonded to three equivalent Yb(1), three equivalent Yb(2), three equivalent Ga(1), and three equivalent Al(3) atoms to form YbYb6Al3Ga3 cuboctahedra that share corners with six equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, corners with six equivalent Yb(2)Yb6Al5Ga cuboctahedra, corners with six equivalent Yb(4)Yb6Al6 cuboctahedra, edges with six equivalent Yb(3)Yb6Al3Ga3 cuboctahedra, faces with nine equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, and faces with nine equivalent Yb(2)Yb6Al5Ga cuboctahedra. In the fourth Yb site, Yb(4) is bonded to three equivalent Yb(1), three equivalent Yb(2), three equivalent Al(1), and three equivalent Al(2) atoms to form YbYb6Al6 cuboctahedra that share corners with six equivalent Yb(3)Yb6Al3Ga3 cuboctahedra, corners with six equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, corners with six equivalent Yb(2)Yb6Al5Ga cuboctahedra, edges with six equivalent Yb(4)Yb6Al6 cuboctahedra, faces with nine equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, and faces with nine equivalent Yb(2)Yb6Al5Ga cuboctahedra. Ga(1) is bonded in a 12-coordinate geometry to three equivalent Yb(2), three equivalent Yb(3), and six equivalent Yb(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to three equivalent Yb(1), three equivalent Yb(4), and six equivalent Yb(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to three equivalent Yb(2), three equivalent Yb(4), and six equivalent Yb(1) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to three equivalent Yb(1), three equivalent Yb(3), and six equivalent Yb(2) atoms.
Yb8GaAl3 is Cubic Laves-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one Yb(3), one Yb(4), four equivalent Yb(1), two equivalent Ga(1), one Al(1), one Al(3), and two equivalent Al(2) atoms to form YbYb6Al4Ga2 cuboctahedra that share corners with two equivalent Yb(3)Yb6Al3Ga3 cuboctahedra, corners with two equivalent Yb(4)Yb6Al6 cuboctahedra, corners with four equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, corners with ten equivalent Yb(2)Yb6Al5Ga cuboctahedra, edges with two equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, edges with four equivalent Yb(2)Yb6Al5Ga cuboctahedra, faces with three equivalent Yb(3)Yb6Al3Ga3 cuboctahedra, faces with three equivalent Yb(4)Yb6Al6 cuboctahedra, faces with four equivalent Yb(2)Yb6Al5Ga cuboctahedra, and faces with eight equivalent Yb(1)Yb6Al4Ga2 cuboctahedra. The Yb(1)-Yb(3) bond length is 3.20 Å. The Yb(1)-Yb(4) bond length is 3.19 Å. All Yb(1)-Yb(1) bond lengths are 3.18 Å. Both Yb(1)-Ga(1) bond lengths are 3.73 Å. The Yb(1)-Al(1) bond length is 3.75 Å. The Yb(1)-Al(3) bond length is 3.76 Å. Both Yb(1)-Al(2) bond lengths are 3.73 Å. In the second Yb site, Yb(2) is bonded to one Yb(3), one Yb(4), four equivalent Yb(2), one Ga(1), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms to form YbYb6Al5Ga cuboctahedra that share corners with two equivalent Yb(3)Yb6Al3Ga3 cuboctahedra, corners with two equivalent Yb(4)Yb6Al6 cuboctahedra, corners with four equivalent Yb(2)Yb6Al5Ga cuboctahedra, corners with ten equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, edges with two equivalent Yb(2)Yb6Al5Ga cuboctahedra, edges with four equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, faces with three equivalent Yb(3)Yb6Al3Ga3 cuboctahedra, faces with three equivalent Yb(4)Yb6Al6 cuboctahedra, faces with four equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, and faces with eight equivalent Yb(2)Yb6Al5Ga cuboctahedra. The Yb(2)-Yb(3) bond length is 3.19 Å. The Yb(2)-Yb(4) bond length is 3.19 Å. All Yb(2)-Yb(2) bond lengths are 3.18 Å. The Yb(2)-Ga(1) bond length is 3.76 Å. The Yb(2)-Al(2) bond length is 3.75 Å. Both Yb(2)-Al(1) bond lengths are 3.73 Å. Both Yb(2)-Al(3) bond lengths are 3.73 Å. In the third Yb site, Yb(3) is bonded to three equivalent Yb(1), three equivalent Yb(2), three equivalent Ga(1), and three equivalent Al(3) atoms to form YbYb6Al3Ga3 cuboctahedra that share corners with six equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, corners with six equivalent Yb(2)Yb6Al5Ga cuboctahedra, corners with six equivalent Yb(4)Yb6Al6 cuboctahedra, edges with six equivalent Yb(3)Yb6Al3Ga3 cuboctahedra, faces with nine equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, and faces with nine equivalent Yb(2)Yb6Al5Ga cuboctahedra. All Yb(3)-Ga(1) bond lengths are 3.73 Å. All Yb(3)-Al(3) bond lengths are 3.73 Å. In the fourth Yb site, Yb(4) is bonded to three equivalent Yb(1), three equivalent Yb(2), three equivalent Al(1), and three equivalent Al(2) atoms to form YbYb6Al6 cuboctahedra that share corners with six equivalent Yb(3)Yb6Al3Ga3 cuboctahedra, corners with six equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, corners with six equivalent Yb(2)Yb6Al5Ga cuboctahedra, edges with six equivalent Yb(4)Yb6Al6 cuboctahedra, faces with nine equivalent Yb(1)Yb6Al4Ga2 cuboctahedra, and faces with nine equivalent Yb(2)Yb6Al5Ga cuboctahedra. All Yb(4)-Al(1) bond lengths are 3.73 Å. All Yb(4)-Al(2) bond lengths are 3.73 Å. Ga(1) is bonded in a 12-coordinate geometry to three equivalent Yb(2), three equivalent Yb(3), and six equivalent Yb(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to three equivalent Yb(1), three equivalent Yb(4), and six equivalent Yb(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to three equivalent Yb(2), three equivalent Yb(4), and six equivalent Yb(1) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to three equivalent Yb(1), three equivalent Yb(3), and six equivalent Yb(2) atoms.