In2AlN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. In(1) is bonded to one N(2) and three equivalent N(1) atoms to form InN4 tetrahedra that share corners with five equivalent Al(1)N4 tetrahedra and corners with seven equivalent In(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 In(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent In(1) and two equivalent Al(1) atoms to form NAl2In2 tetrahedra that share corners with two equivalent N(2)Al2In2 tetrahedra and corners with ten equivalent N(1)AlIn3 tetrahedra. In the second N site, N(1) is bonded to three equivalent In(1) and one Al(1) atom to form NAlIn3 tetrahedra that share corners with five equivalent N(2)Al2In2 tetrahedra and corners with seven equivalent N(1)AlIn3 tetrahedra.
In2AlN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. In(1) is bonded to one N(2) and three equivalent N(1) atoms to form InN4 tetrahedra that share corners with five equivalent Al(1)N4 tetrahedra and corners with seven equivalent In(1)N4 tetrahedra. The In(1)-N(2) bond length is 2.19 Å. There are two shorter (2.18 Å) and one longer (2.20 Å) In(1)-N(1) bond length. 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 In(1)N4 tetrahedra. Both Al(1)-N(1) bond lengths are 1.90 Å. There is one shorter (1.91 Å) and one longer (1.92 Å) Al(1)-N(2) bond length. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent In(1) and two equivalent Al(1) atoms to form NAl2In2 tetrahedra that share corners with two equivalent N(2)Al2In2 tetrahedra and corners with ten equivalent N(1)AlIn3 tetrahedra. In the second N site, N(1) is bonded to three equivalent In(1) and one Al(1) atom to form NAlIn3 tetrahedra that share corners with five equivalent N(2)Al2In2 tetrahedra and corners with seven equivalent N(1)AlIn3 tetrahedra.