Ta5Al3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1) and six equivalent Al(1) atoms. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to five equivalent Al(1) atoms. Al(1) is bonded in a 9-coordinate geometry to four equivalent Ta(1) and five equivalent Ta(2) atoms.
Ta5Al3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1) and six equivalent Al(1) atoms. Both Ta(1)-Ta(1) bond lengths are 2.62 Å. All Ta(1)-Al(1) bond lengths are 2.71 Å. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to five equivalent Al(1) atoms. There are a spread of Ta(2)-Al(1) bond distances ranging from 2.75-2.95 Å. Al(1) is bonded in a 9-coordinate geometry to four equivalent Ta(1) and five equivalent Ta(2) atoms.