Ba3N2 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. Ba(1) is bonded to one N(2) and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing BaN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to six equivalent Ba(1) atoms to form a mixture of distorted corner and edge-sharing NBa6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. In the second N site, N(2) is bonded to six equivalent Ba(1) atoms to form a mixture of corner and edge-sharing NBa6 octahedra.
Ba3N2 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. Ba(1) is bonded to one N(2) and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing BaN4 trigonal pyramids. The Ba(1)-N(2) bond length is 2.80 Å. There are a spread of Ba(1)-N(1) bond distances ranging from 2.68-2.97 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to six equivalent Ba(1) atoms to form a mixture of distorted corner and edge-sharing NBa6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. In the second N site, N(2) is bonded to six equivalent Ba(1) atoms to form a mixture of corner and edge-sharing NBa6 octahedra.