Co3SbN crystallizes in the orthorhombic Pnma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. In the second Co site, Co(2) is bonded in a distorted linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. Sb(1) is bonded to four equivalent Co(2) and eight equivalent Co(1) atoms to form SbCo12 cuboctahedra that share corners with twelve equivalent Sb(1)Co12 cuboctahedra, faces with six equivalent Sb(1)Co12 cuboctahedra, and faces with eight equivalent N(1)Co6 octahedra. N(1) is bonded to two equivalent Co(2) and four equivalent Co(1) atoms to form NCo6 octahedra that share corners with six equivalent N(1)Co6 octahedra and faces with eight equivalent Sb(1)Co12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-13°.
Co3SbN crystallizes in the orthorhombic Pnma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. There are a spread of Co(1)-Sb(1) bond distances ranging from 2.66-2.82 Å. There is one shorter (1.94 Å) and one longer (1.97 Å) Co(1)-N(1) bond length. In the second Co site, Co(2) is bonded in a distorted linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. There are a spread of Co(2)-Sb(1) bond distances ranging from 2.61-2.96 Å. Both Co(2)-N(1) bond lengths are 1.96 Å. Sb(1) is bonded to four equivalent Co(2) and eight equivalent Co(1) atoms to form SbCo12 cuboctahedra that share corners with twelve equivalent Sb(1)Co12 cuboctahedra, faces with six equivalent Sb(1)Co12 cuboctahedra, and faces with eight equivalent N(1)Co6 octahedra. N(1) is bonded to two equivalent Co(2) and four equivalent Co(1) atoms to form NCo6 octahedra that share corners with six equivalent N(1)Co6 octahedra and faces with eight equivalent Sb(1)Co12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-13°.