Ta2Al is beta Uranium-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 15-coordinate geometry to one Ta(1), two equivalent Ta(2), six equivalent Ta(3), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one Ta(1), one Ta(2), and four equivalent Al(2) atoms. In the third Ta site, Ta(3) is bonded in a 7-coordinate geometry to two equivalent Ta(3), three equivalent Ta(1), one Al(1), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Ta(1), four equivalent Ta(3), and four equivalent Al(2) atoms to form AlTa8Al4 cuboctahedra that share corners with sixteen equivalent Al(2)Ta10Al2 cuboctahedra, edges with two equivalent Al(1)Ta8Al4 cuboctahedra, and faces with four equivalent Al(2)Ta10Al2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Ta(1), four equivalent Ta(2), four equivalent Ta(3), one Al(1), and one Al(2) atom to form AlTa10Al2 cuboctahedra that share corners with four equivalent Al(1)Ta8Al4 cuboctahedra, corners with seven equivalent Al(2)Ta10Al2 cuboctahedra, edges with three equivalent Al(2)Ta10Al2 cuboctahedra,  a faceface with one Al(1)Ta8Al4 cuboctahedra, and faces with six equivalent Al(2)Ta10Al2 cuboctahedra.
Ta2Al is beta Uranium-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 15-coordinate geometry to one Ta(1), two equivalent Ta(2), six equivalent Ta(3), two equivalent Al(1), and four equivalent Al(2) atoms. The Ta(1)-Ta(1) bond length is 2.86 Å. Both Ta(1)-Ta(2) bond lengths are 2.74 Å. There are four shorter (3.19 Å) and two longer (3.30 Å) Ta(1)-Ta(3) bond lengths. Both Ta(1)-Al(1) bond lengths are 2.96 Å. All Ta(1)-Al(2) bond lengths are 3.07 Å. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one Ta(1), one Ta(2), and four equivalent Al(2) atoms. The Ta(2)-Ta(2) bond length is 2.66 Å. There are two shorter (2.78 Å) and two longer (2.83 Å) Ta(2)-Al(2) bond lengths. In the third Ta site, Ta(3) is bonded in a 7-coordinate geometry to two equivalent Ta(3), three equivalent Ta(1), one Al(1), and four equivalent Al(2) atoms. There is one shorter (2.58 Å) and one longer (2.62 Å) Ta(3)-Ta(3) bond length. The Ta(3)-Al(1) bond length is 2.86 Å. There are two shorter (2.87 Å) and two longer (2.89 Å) Ta(3)-Al(2) bond lengths. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Ta(1), four equivalent Ta(3), and four equivalent Al(2) atoms to form AlTa8Al4 cuboctahedra that share corners with sixteen equivalent Al(2)Ta10Al2 cuboctahedra, edges with two equivalent Al(1)Ta8Al4 cuboctahedra, and faces with four equivalent Al(2)Ta10Al2 cuboctahedra. All Al(1)-Al(2) bond lengths are 2.68 Å. In the second Al site, Al(2) is bonded to two equivalent Ta(1), four equivalent Ta(2), four equivalent Ta(3), one Al(1), and one Al(2) atom to form AlTa10Al2 cuboctahedra that share corners with four equivalent Al(1)Ta8Al4 cuboctahedra, corners with seven equivalent Al(2)Ta10Al2 cuboctahedra, edges with three equivalent Al(2)Ta10Al2 cuboctahedra,  a faceface with one Al(1)Ta8Al4 cuboctahedra, and faces with six equivalent Al(2)Ta10Al2 cuboctahedra. The Al(2)-Al(2) bond length is 2.75 Å.