Fe5Al8 is gamma-brass structured and crystallizes in the cubic I-43m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to three equivalent Fe(2), three equivalent Al(1), and six equivalent Al(2) atoms. In the second Fe site, Fe(2) is bonded in a 13-coordinate geometry to one Fe(2), two equivalent Fe(1), two equivalent Al(1), and eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), three equivalent Al(1), and three equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 11-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), one Al(1), and four equivalent Al(2) atoms.
Fe5Al8 is gamma-brass structured and crystallizes in the cubic I-43m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to three equivalent Fe(2), three equivalent Al(1), and six equivalent Al(2) atoms. All Fe(1)-Fe(2) bond lengths are 2.67 Å. All Fe(1)-Al(1) bond lengths are 2.52 Å. There are three shorter (2.53 Å) and three longer (2.59 Å) Fe(1)-Al(2) bond lengths. In the second Fe site, Fe(2) is bonded in a 13-coordinate geometry to one Fe(2), two equivalent Fe(1), two equivalent Al(1), and eight equivalent Al(2) atoms. The Fe(2)-Fe(2) bond length is 2.47 Å. Both Fe(2)-Al(1) bond lengths are 2.58 Å. There are a spread of Fe(2)-Al(2) bond distances ranging from 2.51-2.82 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), three equivalent Al(1), and three equivalent Al(2) atoms. All Al(1)-Al(1) bond lengths are 2.63 Å. All Al(1)-Al(2) bond lengths are 2.61 Å. In the second Al site, Al(2) is bonded in a 11-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), one Al(1), and four equivalent Al(2) atoms. All Al(2)-Al(2) bond lengths are 2.62 Å.