Al5Mo crystallizes in the hexagonal P6_322 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to three equivalent Al(2); three equivalent Al(3); and six Al(1,1,1,1) atoms to form MoAl12 cuboctahedra that share corners with three equivalent Al(3)Al9Mo3 cuboctahedra; corners with six equivalent Mo(1)Al12 cuboctahedra; corners with nine equivalent Al(2)Al9Mo3 cuboctahedra; edges with six equivalent Mo(1)Al12 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with three equivalent Al(2)Al9Mo3 cuboctahedra; faces with five equivalent Al(3)Al9Mo3 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. In the second Mo site, Mo(1) is bonded to three equivalent Al(2); three equivalent Al(3); and six Al(1,1,1,1) atoms to form MoAl12 cuboctahedra that share corners with three equivalent Al(3)Al9Mo3 cuboctahedra; corners with six equivalent Mo(1)Al12 cuboctahedra; corners with nine equivalent Al(2)Al9Mo3 cuboctahedra; edges with six equivalent Mo(1)Al12 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with three equivalent Al(2)Al9Mo3 cuboctahedra; faces with five equivalent Al(3)Al9Mo3 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six Al(1,1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six Al(1,1)Al10Mo2 cuboctahedra. In the second Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six Al(1,1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six Al(1,1)Al10Mo2 cuboctahedra. In the third Al site, Al(2) is bonded to three equivalent Mo(1); three equivalent Al(3); and six Al(1,1,1,1) atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with nine Mo(1,1)Al12 cuboctahedra; corners with nine equivalent Al(3)Al9Mo3 cuboctahedra; edges with six equivalent Al(2)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with two equivalent Al(2)Al9Mo3 cuboctahedra; faces with three equivalent Mo(1)Al12 cuboctahedra; faces with three equivalent Al(3)Al9Mo3 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. In the fourth Al site, Al(3) is bonded to three equivalent Mo(1); three equivalent Al(2); and six Al(1,1,1,1) atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with three equivalent Mo(1)Al12 cuboctahedra; corners with six equivalent Al(3)Al9Mo3 cuboctahedra; corners with nine equivalent Al(2)Al9Mo3 cuboctahedra; edges with six equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with three equivalent Al(2)Al9Mo3 cuboctahedra; faces with five Mo(1,1)Al12 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. In the fifth Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six equivalent Al(1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six equivalent Al(1)Al10Mo2 cuboctahedra. In the sixth Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six equivalent Al(1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six equivalent Al(1)Al10Mo2 cuboctahedra.
Al5Mo crystallizes in the hexagonal P6_322 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to three equivalent Al(2); three equivalent Al(3); and six Al(1,1,1,1) atoms to form MoAl12 cuboctahedra that share corners with three equivalent Al(3)Al9Mo3 cuboctahedra; corners with six equivalent Mo(1)Al12 cuboctahedra; corners with nine equivalent Al(2)Al9Mo3 cuboctahedra; edges with six equivalent Mo(1)Al12 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with three equivalent Al(2)Al9Mo3 cuboctahedra; faces with five equivalent Al(3)Al9Mo3 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. All Mo(1)-Al(2) bond lengths are 2.81 Å. All Mo(1)-Al(3) bond lengths are 2.81 Å. All Mo(1)-Al(1,1,1,1) bond lengths are 2.73 Å. In the second Mo site, Mo(1) is bonded to three equivalent Al(2); three equivalent Al(3); and six Al(1,1,1,1) atoms to form MoAl12 cuboctahedra that share corners with three equivalent Al(3)Al9Mo3 cuboctahedra; corners with six equivalent Mo(1)Al12 cuboctahedra; corners with nine equivalent Al(2)Al9Mo3 cuboctahedra; edges with six equivalent Mo(1)Al12 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with three equivalent Al(2)Al9Mo3 cuboctahedra; faces with five equivalent Al(3)Al9Mo3 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. All Mo(1)-Al(2) bond lengths are 2.81 Å. All Mo(1)-Al(3) bond lengths are 2.81 Å. All Mo(1)-Al(1,1,1,1) bond lengths are 2.73 Å. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six Al(1,1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six Al(1,1)Al10Mo2 cuboctahedra. Both Al(1)-Al(2) bond lengths are 2.75 Å. Both Al(1)-Al(3) bond lengths are 2.73 Å. There are four shorter (2.79 Å) and two longer (2.84 Å) Al(1)-Al(1,1) bond lengths. In the second Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six Al(1,1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six Al(1,1)Al10Mo2 cuboctahedra. Both Al(1)-Al(2) bond lengths are 2.75 Å. Both Al(1)-Al(3) bond lengths are 2.73 Å. There are four shorter (2.79 Å) and two longer (2.84 Å) Al(1)-Al(1,1) bond lengths. In the third Al site, Al(2) is bonded to three equivalent Mo(1); three equivalent Al(3); and six Al(1,1,1,1) atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with nine Mo(1,1)Al12 cuboctahedra; corners with nine equivalent Al(3)Al9Mo3 cuboctahedra; edges with six equivalent Al(2)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with two equivalent Al(2)Al9Mo3 cuboctahedra; faces with three equivalent Mo(1)Al12 cuboctahedra; faces with three equivalent Al(3)Al9Mo3 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. All Al(2)-Al(3) bond lengths are 2.81 Å. Both Al(2)-Al(1,1) bond lengths are 2.75 Å. In the fourth Al site, Al(3) is bonded to three equivalent Mo(1); three equivalent Al(2); and six Al(1,1,1,1) atoms to form distorted AlAl9Mo3 cuboctahedra that share corners with three equivalent Mo(1)Al12 cuboctahedra; corners with six equivalent Al(3)Al9Mo3 cuboctahedra; corners with nine equivalent Al(2)Al9Mo3 cuboctahedra; edges with six equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra; faces with three equivalent Al(2)Al9Mo3 cuboctahedra; faces with five Mo(1,1)Al12 cuboctahedra; and faces with twelve Al(1,1,1,1)Al10Mo2 cuboctahedra. Both Al(3)-Al(1,1) bond lengths are 2.73 Å. In the fifth Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six equivalent Al(1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six equivalent Al(1)Al10Mo2 cuboctahedra. In the sixth Al site, Al(1) is bonded to two Mo(1,1); two equivalent Al(2); two equivalent Al(3); and six equivalent Al(1) atoms to form distorted AlAl10Mo2 cuboctahedra that share corners with twelve Al(1,1,1)Al10Mo2 cuboctahedra; edges with four Mo(1,1)Al12 cuboctahedra; edges with four equivalent Al(2)Al9Mo3 cuboctahedra; edges with four equivalent Al(3)Al9Mo3 cuboctahedra; edges with twelve Al(1,1,1)Al10Mo2 cuboctahedra; faces with four Mo(1,1)Al12 cuboctahedra; faces with four equivalent Al(2)Al9Mo3 cuboctahedra; faces with four equivalent Al(3)Al9Mo3 cuboctahedra; and faces with six equivalent Al(1)Al10Mo2 cuboctahedra.