Mg3N2 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. Mg(1) is bonded to one N(1) and three equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing MgN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to six equivalent Mg(1) atoms to form a mixture of corner and edge-sharing NMg6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second N site, N(2) is bonded to six equivalent Mg(1) atoms to form a mixture of distorted corner and edge-sharing NMg6 octahedra. The corner-sharing octahedral tilt angles are 56°.
Mg3N2 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. Mg(1) is bonded to one N(1) and three equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing MgN4 tetrahedra. The Mg(1)-N(1) bond length is 2.14 Å. There are a spread of Mg(1)-N(2) bond distances ranging from 2.08-2.17 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to six equivalent Mg(1) atoms to form a mixture of corner and edge-sharing NMg6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second N site, N(2) is bonded to six equivalent Mg(1) atoms to form a mixture of distorted corner and edge-sharing NMg6 octahedra. The corner-sharing octahedral tilt angles are 56°.