V4Co2N crystallizes in the cubic Fd-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. In the second V site, V(2) is bonded in a distorted bent 150 degrees geometry to four equivalent Co(1) and two equivalent N(1) atoms. Co(1) is bonded in a 12-coordinate geometry to three equivalent V(1), six equivalent V(2), and three equivalent Co(1) atoms. N(1) is bonded to six equivalent V(2) atoms to form corner-sharing NV6 octahedra. The corner-sharing octahedral tilt angles are 37°.
V4Co2N crystallizes in the cubic Fd-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. All V(1)-Co(1) bond lengths are 2.35 Å. In the second V site, V(2) is bonded in a distorted bent 150 degrees geometry to four equivalent Co(1) and two equivalent N(1) atoms. There are two shorter (2.54 Å) and two longer (2.82 Å) V(2)-Co(1) bond lengths. Both V(2)-N(1) bond lengths are 2.01 Å. Co(1) is bonded in a 12-coordinate geometry to three equivalent V(1), six equivalent V(2), and three equivalent Co(1) atoms. All Co(1)-Co(1) bond lengths are 2.59 Å. N(1) is bonded to six equivalent V(2) atoms to form corner-sharing NV6 octahedra. The corner-sharing octahedral tilt angles are 37°.