V5P3N crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to five equivalent P(1) and two equivalent N(1) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to six equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to four equivalent V(2) and five equivalent V(1) atoms. N(1) is bonded to six equivalent V(1) atoms to form face-sharing NV6 octahedra.
V5P3N crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to five equivalent P(1) and two equivalent N(1) atoms. There are a spread of V(1)-P(1) bond distances ranging from 2.41-2.83 Å. Both V(1)-N(1) bond lengths are 2.04 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to six equivalent P(1) atoms. All V(2)-P(1) bond lengths are 2.44 Å. P(1) is bonded in a 9-coordinate geometry to four equivalent V(2) and five equivalent V(1) atoms. N(1) is bonded to six equivalent V(1) atoms to form face-sharing NV6 octahedra.