Ta2Al is beta Plutonium-derived structured and crystallizes in the tetragonal P4_2/mnm space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 14-coordinate geometry to two equivalent Ta(1), three equivalent Ta(3), four equivalent Ta(2), one Al(2), and four equivalent Al(1) atoms. In the second Ta site, Ta(2) is bonded in a 12-coordinate geometry to one Ta(2), two equivalent Ta(3), four equivalent Ta(1), one Al(2), and four equivalent Al(1) atoms. In the third Ta site, Ta(3) is bonded in a 5-coordinate geometry to one Ta(3), four equivalent Ta(2), six equivalent Ta(1), two equivalent Al(1), and two equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Ta(3), four equivalent Ta(1), four equivalent Ta(2), and one Al(1) atom. In the second Al site, Al(2) is bonded to four equivalent Ta(1), four equivalent Ta(2), and four equivalent Ta(3) atoms to form edge-sharing AlTa12 cuboctahedra.
Ta2Al is beta Plutonium-derived structured and crystallizes in the tetragonal P4_2/mnm space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 14-coordinate geometry to two equivalent Ta(1), three equivalent Ta(3), four equivalent Ta(2), one Al(2), and four equivalent Al(1) atoms. There is one shorter (2.69 Å) and one longer (2.72 Å) Ta(1)-Ta(1) bond length. There are two shorter (3.27 Å) and one longer (3.30 Å) Ta(1)-Ta(3) bond length. There are two shorter (2.86 Å) and two longer (2.92 Å) Ta(1)-Ta(2) bond lengths. The Ta(1)-Al(2) bond length is 2.97 Å. There are two shorter (3.10 Å) and two longer (3.13 Å) Ta(1)-Al(1) bond lengths. In the second Ta site, Ta(2) is bonded in a 12-coordinate geometry to one Ta(2), two equivalent Ta(3), four equivalent Ta(1), one Al(2), and four equivalent Al(1) atoms. The Ta(2)-Ta(2) bond length is 2.82 Å. Both Ta(2)-Ta(3) bond lengths are 3.19 Å. The Ta(2)-Al(2) bond length is 2.68 Å. There are a spread of Ta(2)-Al(1) bond distances ranging from 2.79-2.90 Å. In the third Ta site, Ta(3) is bonded in a 5-coordinate geometry to one Ta(3), four equivalent Ta(2), six equivalent Ta(1), two equivalent Al(1), and two equivalent Al(2) atoms. The Ta(3)-Ta(3) bond length is 2.72 Å. Both Ta(3)-Al(1) bond lengths are 2.72 Å. Both Ta(3)-Al(2) bond lengths are 3.03 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Ta(3), four equivalent Ta(1), four equivalent Ta(2), and one Al(1) atom. The Al(1)-Al(1) bond length is 2.79 Å. In the second Al site, Al(2) is bonded to four equivalent Ta(1), four equivalent Ta(2), and four equivalent Ta(3) atoms to form edge-sharing AlTa12 cuboctahedra.