V8N crystallizes in the tetragonal P4_2/mnm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to four equivalent V(3) and one N(1) atom. In the second V site, V(3) is bonded in a distorted body-centered cubic geometry to two equivalent V(1), two equivalent V(2), and four equivalent V(3) atoms. In the third V site, V(2) is bonded in an L-shaped geometry to four equivalent V(3) and two equivalent N(1) atoms. N(1) is bonded to two equivalent V(1) and four equivalent V(2) atoms to form edge-sharing NV6 octahedra.
V8N crystallizes in the tetragonal P4_2/mnm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to four equivalent V(3) and one N(1) atom. All V(1)-V(3) bond lengths are 2.49 Å. The V(1)-N(1) bond length is 1.93 Å. In the second V site, V(3) is bonded in a distorted body-centered cubic geometry to two equivalent V(1), two equivalent V(2), and four equivalent V(3) atoms. Both V(3)-V(2) bond lengths are 2.71 Å. All V(3)-V(3) bond lengths are 2.57 Å. In the third V site, V(2) is bonded in an L-shaped geometry to four equivalent V(3) and two equivalent N(1) atoms. Both V(2)-N(1) bond lengths are 2.03 Å. N(1) is bonded to two equivalent V(1) and four equivalent V(2) atoms to form edge-sharing NV6 octahedra.