Co4N crystallizes in the cubic Pm-3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a linear geometry to four equivalent Co(2) and two equivalent N(1) atoms. In the second Co site, Co(2) is bonded to twelve equivalent Co(1) atoms to form CoCo12 cuboctahedra that share corners with twelve equivalent Co(2)Co12 cuboctahedra, faces with six equivalent Co(2)Co12 cuboctahedra, and faces with eight equivalent N(1)Co6 octahedra. N(1) is bonded to six equivalent Co(1) atoms to form NCo6 octahedra that share corners with six equivalent N(1)Co6 octahedra and faces with eight equivalent Co(2)Co12 cuboctahedra. The corner-sharing octahedra are not tilted.
Co4N crystallizes in the cubic Pm-3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a linear geometry to four equivalent Co(2) and two equivalent N(1) atoms. All Co(1)-Co(2) bond lengths are 2.62 Å. Both Co(1)-N(1) bond lengths are 1.85 Å. In the second Co site, Co(2) is bonded to twelve equivalent Co(1) atoms to form CoCo12 cuboctahedra that share corners with twelve equivalent Co(2)Co12 cuboctahedra, faces with six equivalent Co(2)Co12 cuboctahedra, and faces with eight equivalent N(1)Co6 octahedra. N(1) is bonded to six equivalent Co(1) atoms to form NCo6 octahedra that share corners with six equivalent N(1)Co6 octahedra and faces with eight equivalent Co(2)Co12 cuboctahedra. The corner-sharing octahedra are not tilted.