Al4Mo crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(5) atoms. In the second Mo site, Mo(2) is bonded in a 11-coordinate geometry to one Al(1), one Al(2), one Al(3), two equivalent Al(4), two equivalent Al(5), two equivalent Al(6), and two equivalent Al(7) atoms. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. In the third Al site, Al(3) is bonded in a distorted linear geometry to one Mo(1), one Mo(2), and one Al(6) atom. In the fourth Al site, Al(4) is bonded in a 3-coordinate geometry to one Mo(1), two equivalent Mo(2), and one Al(6) atom. In the fifth Al site, Al(5) is bonded in a 3-coordinate geometry to one Mo(1), two equivalent Mo(2), and one Al(6) atom. In the sixth Al site, Al(6) is bonded in a 10-coordinate geometry to two equivalent Mo(2), one Al(3), one Al(4), one Al(5), two equivalent Al(6), and three equivalent Al(7) atoms. In the seventh Al site, Al(7) is bonded in a 2-coordinate geometry to two equivalent Mo(2) and three equivalent Al(6) atoms.
Al4Mo crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(5) atoms. There is one shorter (2.69 Å) and one longer (2.79 Å) Mo(1)-Al(1) bond length. There is one shorter (2.68 Å) and one longer (2.84 Å) Mo(1)-Al(2) bond length. Both Mo(1)-Al(3) bond lengths are 2.55 Å. Both Mo(1)-Al(4) bond lengths are 2.64 Å. Both Mo(1)-Al(5) bond lengths are 2.66 Å. In the second Mo site, Mo(2) is bonded in a 11-coordinate geometry to one Al(1), one Al(2), one Al(3), two equivalent Al(4), two equivalent Al(5), two equivalent Al(6), and two equivalent Al(7) atoms. The Mo(2)-Al(1) bond length is 2.85 Å. The Mo(2)-Al(2) bond length is 2.84 Å. The Mo(2)-Al(3) bond length is 2.55 Å. There is one shorter (2.70 Å) and one longer (2.76 Å) Mo(2)-Al(4) bond length. There is one shorter (2.72 Å) and one longer (2.76 Å) Mo(2)-Al(5) bond length. There is one shorter (2.73 Å) and one longer (2.80 Å) Mo(2)-Al(6) bond length. There is one shorter (2.71 Å) and one longer (2.78 Å) Mo(2)-Al(7) bond length. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. In the third Al site, Al(3) is bonded in a distorted linear geometry to one Mo(1), one Mo(2), and one Al(6) atom. The Al(3)-Al(6) bond length is 2.88 Å. In the fourth Al site, Al(4) is bonded in a 3-coordinate geometry to one Mo(1), two equivalent Mo(2), and one Al(6) atom. The Al(4)-Al(6) bond length is 3.01 Å. In the fifth Al site, Al(5) is bonded in a 3-coordinate geometry to one Mo(1), two equivalent Mo(2), and one Al(6) atom. The Al(5)-Al(6) bond length is 2.80 Å. In the sixth Al site, Al(6) is bonded in a 10-coordinate geometry to two equivalent Mo(2), one Al(3), one Al(4), one Al(5), two equivalent Al(6), and three equivalent Al(7) atoms. Both Al(6)-Al(6) bond lengths are 2.69 Å. There are a spread of Al(6)-Al(7) bond distances ranging from 2.67-2.87 Å. In the seventh Al site, Al(7) is bonded in a 2-coordinate geometry to two equivalent Mo(2) and three equivalent Al(6) atoms.