Nb2N is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. Nb(1) is bonded in a distorted T-shaped geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to six equivalent Nb(1) atoms to form corner-sharing NNb6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second N site, N(1) is bonded to six equivalent Nb(1) atoms to form a mixture of corner and edge-sharing NNb6 octahedra. The corner-sharing octahedral tilt angles are 48°.
Nb2N is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. Nb(1) is bonded in a distorted T-shaped geometry to one N(2) and two equivalent N(1) atoms. The Nb(1)-N(2) bond length is 2.17 Å. Both Nb(1)-N(1) bond lengths are 2.18 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded to six equivalent Nb(1) atoms to form corner-sharing NNb6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second N site, N(1) is bonded to six equivalent Nb(1) atoms to form a mixture of corner and edge-sharing NNb6 octahedra. The corner-sharing octahedral tilt angles are 48°.