V5Si3N 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 Si(1) and two equivalent N(1) atoms. In the second V site, V(2) is bonded in a 8-coordinate geometry to two equivalent V(2) and six equivalent Si(1) atoms. Si(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.
V5Si3N 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 Si(1) and two equivalent N(1) atoms. There are a spread of V(1)-Si(1) bond distances ranging from 2.51-2.78 Å. Both V(1)-N(1) bond lengths are 2.03 Å. In the second V site, V(2) is bonded in a 8-coordinate geometry to two equivalent V(2) and six equivalent Si(1) atoms. Both V(2)-V(2) bond lengths are 2.47 Å. All V(2)-Si(1) bond lengths are 2.47 Å. Si(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.