Ta17Al12 is alpha-derived structured and crystallizes in the cubic I-43m space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to four equivalent Ta(2) and twelve equivalent Al(1) atoms. In the second Ta site, Ta(2) is bonded in a 13-coordinate geometry to one Ta(1), three equivalent Ta(3), and nine equivalent Al(1) atoms. In the third Ta site, Ta(3) is bonded in a 12-coordinate geometry to one Ta(2), six equivalent Ta(3), and five equivalent Al(1) atoms. Al(1) is bonded in a 12-coordinate geometry to one Ta(1), three equivalent Ta(2), five equivalent Ta(3), and three equivalent Al(1) atoms.
Ta17Al12 is alpha-derived structured and crystallizes in the cubic I-43m space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to four equivalent Ta(2) and twelve equivalent Al(1) atoms. All Ta(1)-Ta(2) bond lengths are 3.07 Å. All Ta(1)-Al(1) bond lengths are 3.05 Å. In the second Ta site, Ta(2) is bonded in a 13-coordinate geometry to one Ta(1), three equivalent Ta(3), and nine equivalent Al(1) atoms. All Ta(2)-Ta(3) bond lengths are 2.86 Å. There are six shorter (2.98 Å) and three longer (3.30 Å) Ta(2)-Al(1) bond lengths. In the third Ta site, Ta(3) is bonded in a 12-coordinate geometry to one Ta(2), six equivalent Ta(3), and five equivalent Al(1) atoms. There are two shorter (2.83 Å) and four longer (3.04 Å) Ta(3)-Ta(3) bond lengths. There are a spread of Ta(3)-Al(1) bond distances ranging from 2.72-2.92 Å. Al(1) is bonded in a 12-coordinate geometry to one Ta(1), three equivalent Ta(2), five equivalent Ta(3), and three equivalent Al(1) atoms. There is one shorter (2.56 Å) and two longer (2.63 Å) Al(1)-Al(1) bond lengths.