Al3Ru is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six Al(1,1) and six Al(2,2) atoms to form RuAl12 cuboctahedra that share corners with six equivalent Ru(1)Al12 cuboctahedra; corners with twelve Al(1,1)Al8Ru4 cuboctahedra; edges with six Al(1,1)Al8Ru4 cuboctahedra; edges with twelve Al(2,2)Al8Ru4 cuboctahedra; faces with two equivalent Ru(1)Al12 cuboctahedra; faces with six equivalent Ru(2)Al12 cuboctahedra; faces with six Al(1,1)Al8Ru4 cuboctahedra; and faces with six Al(2,2)Al8Ru4 cuboctahedra. In the second Ru site, Ru(2) is bonded to six Al(1,1) and six Al(2,2) atoms to form RuAl12 cuboctahedra that share corners with twelve equivalent Ru(2)Al12 cuboctahedra; edges with twelve Al(1,1)Al8Ru4 cuboctahedra; edges with twelve Al(2,2)Al8Ru4 cuboctahedra; faces with six equivalent Ru(1)Al12 cuboctahedra; faces with six Al(1,1)Al8Ru4 cuboctahedra; and faces with six Al(2,2)Al8Ru4 cuboctahedra. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Ru(1); two equivalent Ru(2); four Al(1,1); and four Al(2,2) atoms to form distorted AlAl8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Al12 cuboctahedra; corners with fourteen Al(1,1)Al8Ru4 cuboctahedra; edges with two equivalent Ru(1)Al12 cuboctahedra; edges with four equivalent Ru(2)Al12 cuboctahedra; edges with four Al(1,1)Al8Ru4 cuboctahedra; edges with eight Al(2,2)Al8Ru4 cuboctahedra; faces with two equivalent Ru(1)Al12 cuboctahedra; faces with two equivalent Ru(2)Al12 cuboctahedra; faces with six Al(1,1)Al8Ru4 cuboctahedra; and faces with ten Al(2,2)Al8Ru4 cuboctahedra. In the second Al site, Al(1) is bonded to two equivalent Ru(1), two equivalent Ru(2), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlAl8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Al12 cuboctahedra; corners with fourteen Al(1,1)Al8Ru4 cuboctahedra; edges with two equivalent Ru(1)Al12 cuboctahedra; edges with four equivalent Ru(2)Al12 cuboctahedra; edges with four equivalent Al(1)Al8Ru4 cuboctahedra; edges with eight equivalent Al(2)Al8Ru4 cuboctahedra; faces with two equivalent Ru(1)Al12 cuboctahedra; faces with two equivalent Ru(2)Al12 cuboctahedra; faces with six Al(1,1)Al8Ru4 cuboctahedra; and faces with ten Al(2,2)Al8Ru4 cuboctahedra. In the third Al site, Al(2) is bonded to two equivalent Ru(1); two equivalent Ru(2); four Al(1,1); and four Al(2,2) atoms to form distorted AlAl8Ru4 cuboctahedra that share corners with twelve equivalent Al(2)Al8Ru4 cuboctahedra; edges with four equivalent Ru(1)Al12 cuboctahedra; edges with four equivalent Ru(2)Al12 cuboctahedra; edges with eight Al(1,1)Al8Ru4 cuboctahedra; edges with eight Al(2,2)Al8Ru4 cuboctahedra; faces with two equivalent Ru(1)Al12 cuboctahedra; faces with two equivalent Ru(2)Al12 cuboctahedra; faces with four Al(2,2)Al8Ru4 cuboctahedra; and faces with ten Al(1,1)Al8Ru4 cuboctahedra. In the fourth Al site, Al(2) is bonded to two equivalent Ru(1), two equivalent Ru(2), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlAl8Ru4 cuboctahedra that share corners with twelve equivalent Al(2)Al8Ru4 cuboctahedra; edges with four equivalent Ru(1)Al12 cuboctahedra; edges with four equivalent Ru(2)Al12 cuboctahedra; edges with eight equivalent Al(1)Al8Ru4 cuboctahedra; edges with eight equivalent Al(2)Al8Ru4 cuboctahedra; faces with two equivalent Ru(1)Al12 cuboctahedra; faces with two equivalent Ru(2)Al12 cuboctahedra; faces with four equivalent Al(2)Al8Ru4 cuboctahedra; and faces with ten Al(1,1)Al8Ru4 cuboctahedra.
Al3Ru is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six Al(1,1) and six Al(2,2) atoms to form RuAl12 cuboctahedra that share corners with six equivalent Ru(1)Al12 cuboctahedra; corners with twelve Al(1,1)Al8Ru4 cuboctahedra; edges with six Al(1,1)Al8Ru4 cuboctahedra; edges with twelve Al(2,2)Al8Ru4 cuboctahedra; faces with two equivalent Ru(1)Al12 cuboctahedra; faces with six equivalent Ru(2)Al12 cuboctahedra; faces with six Al(1,1)Al8Ru4 cuboctahedra; and faces with six Al(2,2)Al8Ru4 cuboctahedra. All Ru(1)-Al(1,1) bond lengths are 2.73 Å. All Ru(1)-Al(2,2) bond lengths are 2.72 Å. In the second Ru site, Ru(2) is bonded to six Al(1,1) and six Al(2,2) atoms to form RuAl12 cuboctahedra that share corners with twelve equivalent Ru(2)Al12 cuboctahedra; edges with twelve Al(1,1)Al8Ru4 cuboctahedra; edges with twelve Al(2,2)Al8Ru4 cuboctahedra; faces with six equivalent Ru(1)Al12 cuboctahedra; faces with six Al(1,1)Al8Ru4 cuboctahedra; and faces with six Al(2,2)Al8Ru4 cuboctahedra. All Ru(2)-Al(1,1) bond lengths are 2.74 Å. All Ru(2)-Al(2,2) bond lengths are 2.73 Å. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Ru(1); two equivalent Ru(2); four Al(1,1); and four Al(2,2) atoms to form distorted AlAl8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Al12 cuboctahedra; corners with fourteen Al(1,1)Al8Ru4 cuboctahedra; edges with two equivalent Ru(1)Al12 cuboctahedra; edges with four equivalent Ru(2)Al12 cuboctahedra; edges with four Al(1,1)Al8Ru4 cuboctahedra; edges with eight Al(2,2)Al8Ru4 cuboctahedra; faces with two equivalent Ru(1)Al12 cuboctahedra; faces with two equivalent Ru(2)Al12 cuboctahedra; faces with six Al(1,1)Al8Ru4 cuboctahedra; and faces with ten Al(2,2)Al8Ru4 cuboctahedra. All Al(1)-Al(1,1) bond lengths are 2.73 Å. All Al(1)-Al(2,2) bond lengths are 2.74 Å. In the second Al site, Al(1) is bonded to two equivalent Ru(1), two equivalent Ru(2), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlAl8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Al12 cuboctahedra; corners with fourteen Al(1,1)Al8Ru4 cuboctahedra; edges with two equivalent Ru(1)Al12 cuboctahedra; edges with four equivalent Ru(2)Al12 cuboctahedra; edges with four equivalent Al(1)Al8Ru4 cuboctahedra; edges with eight equivalent Al(2)Al8Ru4 cuboctahedra; faces with two equivalent Ru(1)Al12 cuboctahedra; faces with two equivalent Ru(2)Al12 cuboctahedra; faces with six Al(1,1)Al8Ru4 cuboctahedra; and faces with ten Al(2,2)Al8Ru4 cuboctahedra. All Al(1)-Al(2) bond lengths are 2.74 Å. In the third Al site, Al(2) is bonded to two equivalent Ru(1); two equivalent Ru(2); four Al(1,1); and four Al(2,2) atoms to form distorted AlAl8Ru4 cuboctahedra that share corners with twelve equivalent Al(2)Al8Ru4 cuboctahedra; edges with four equivalent Ru(1)Al12 cuboctahedra; edges with four equivalent Ru(2)Al12 cuboctahedra; edges with eight Al(1,1)Al8Ru4 cuboctahedra; edges with eight Al(2,2)Al8Ru4 cuboctahedra; faces with two equivalent Ru(1)Al12 cuboctahedra; faces with two equivalent Ru(2)Al12 cuboctahedra; faces with four Al(2,2)Al8Ru4 cuboctahedra; and faces with ten Al(1,1)Al8Ru4 cuboctahedra. There are two shorter (2.68 Å) and two longer (2.78 Å) Al(2)-Al(2,2) bond lengths. In the fourth Al site, Al(2) is bonded to two equivalent Ru(1), two equivalent Ru(2), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlAl8Ru4 cuboctahedra that share corners with twelve equivalent Al(2)Al8Ru4 cuboctahedra; edges with four equivalent Ru(1)Al12 cuboctahedra; edges with four equivalent Ru(2)Al12 cuboctahedra; edges with eight equivalent Al(1)Al8Ru4 cuboctahedra; edges with eight equivalent Al(2)Al8Ru4 cuboctahedra; faces with two equivalent Ru(1)Al12 cuboctahedra; faces with two equivalent Ru(2)Al12 cuboctahedra; faces with four equivalent Al(2)Al8Ru4 cuboctahedra; and faces with ten Al(1,1)Al8Ru4 cuboctahedra.