FeAl2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Fe(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form FeN4 tetrahedra that share corners with two equivalent Fe(1)N4 tetrahedra and corners with ten equivalent Al(1)N4 tetrahedra. Al(1) is bonded to one N(2) and three equivalent N(1) atoms to form AlN4 tetrahedra that share corners with five equivalent Fe(1)N4 tetrahedra and corners with seven equivalent Al(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Fe(1) and three equivalent Al(1) atoms to form NAl3Fe tetrahedra that share corners with five equivalent N(2)Al2Fe2 tetrahedra and corners with seven equivalent N(1)Al3Fe tetrahedra. In the second 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)Al3Fe tetrahedra.
FeAl2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Fe(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form FeN4 tetrahedra that share corners with two equivalent Fe(1)N4 tetrahedra and corners with ten equivalent Al(1)N4 tetrahedra. Both Fe(1)-N(1) bond lengths are 1.99 Å. There is one shorter (2.00 Å) and one longer (2.01 Å) Fe(1)-N(2) bond length. Al(1) is bonded to one N(2) and three equivalent N(1) atoms to form AlN4 tetrahedra that share corners with five equivalent Fe(1)N4 tetrahedra and corners with seven equivalent Al(1)N4 tetrahedra. The Al(1)-N(2) bond length is 1.89 Å. There are two shorter (1.90 Å) and one longer (1.91 Å) Al(1)-N(1) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Fe(1) and three equivalent Al(1) atoms to form NAl3Fe tetrahedra that share corners with five equivalent N(2)Al2Fe2 tetrahedra and corners with seven equivalent N(1)Al3Fe tetrahedra. In the second 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)Al3Fe tetrahedra.