Fe2AlN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Fe(1) is bonded to one N(2) and three equivalent N(1) atoms to form FeN4 tetrahedra that share corners with five equivalent Al(1)N4 tetrahedra and corners with seven equivalent Fe(1)N4 tetrahedra. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form AlN4 tetrahedra that share corners with two equivalent Al(1)N4 tetrahedra and corners with ten equivalent Fe(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Fe(1) and two equivalent Al(1) atoms to form NAl2Fe2 tetrahedra that share corners with two equivalent N(2)Al2Fe2 tetrahedra and corners with ten equivalent N(1)AlFe3 tetrahedra. In the second N site, N(1) is bonded to three equivalent Fe(1) and one Al(1) atom to form NAlFe3 tetrahedra that share corners with five equivalent N(2)Al2Fe2 tetrahedra and corners with seven equivalent N(1)AlFe3 tetrahedra.
Fe2AlN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Fe(1) is bonded to one N(2) and three equivalent N(1) atoms to form FeN4 tetrahedra that share corners with five equivalent Al(1)N4 tetrahedra and corners with seven equivalent Fe(1)N4 tetrahedra. The Fe(1)-N(2) bond length is 1.91 Å. There is one shorter (1.84 Å) and two longer (1.85 Å) Fe(1)-N(1) bond lengths. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form AlN4 tetrahedra that share corners with two equivalent Al(1)N4 tetrahedra and corners with ten equivalent Fe(1)N4 tetrahedra. Both Al(1)-N(1) bond lengths are 1.90 Å. Both Al(1)-N(2) bond lengths are 1.88 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Fe(1) and two equivalent Al(1) atoms to form NAl2Fe2 tetrahedra that share corners with two equivalent N(2)Al2Fe2 tetrahedra and corners with ten equivalent N(1)AlFe3 tetrahedra. In the second N site, N(1) is bonded to three equivalent Fe(1) and one Al(1) atom to form NAlFe3 tetrahedra that share corners with five equivalent N(2)Al2Fe2 tetrahedra and corners with seven equivalent N(1)AlFe3 tetrahedra.