V4N3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second V site, V(2) is bonded to one N(2) and four equivalent N(1) atoms to form a mixture of corner and edge-sharing VN5 square pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent V(1) and four equivalent V(2) atoms to form a mixture of corner and edge-sharing NV6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second N site, N(2) is bonded to two equivalent V(2) and four equivalent V(1) atoms to form a mixture of corner and edge-sharing NV6 octahedra. The corner-sharing octahedra are not tilted.
V4N3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. Both V(1)-N(1) bond lengths are 2.01 Å. Both V(1)-N(2) bond lengths are 2.04 Å. In the second V site, V(2) is bonded to one N(2) and four equivalent N(1) atoms to form a mixture of corner and edge-sharing VN5 square pyramids. The V(2)-N(2) bond length is 2.03 Å. All V(2)-N(1) bond lengths are 2.04 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent V(1) and four equivalent V(2) atoms to form a mixture of corner and edge-sharing NV6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second N site, N(2) is bonded to two equivalent V(2) and four equivalent V(1) atoms to form a mixture of corner and edge-sharing NV6 octahedra. The corner-sharing octahedra are not tilted.