NbVCN is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. Nb(1) is bonded to four equivalent C(1) and two equivalent N(1) atoms to form NbC4N2 octahedra that share corners with six equivalent Nb(1)C4N2 octahedra, edges with four equivalent Nb(1)C4N2 octahedra, and edges with eight equivalent V(1)C2N4 octahedra. The corner-sharing octahedra are not tilted. V(1) is bonded to two equivalent C(1) and four equivalent N(1) atoms to form VC2N4 octahedra that share corners with six equivalent V(1)C2N4 octahedra, edges with four equivalent V(1)C2N4 octahedra, and edges with eight equivalent Nb(1)C4N2 octahedra. The corner-sharing octahedra are not tilted. C(1) is bonded to four equivalent Nb(1) and two equivalent V(1) atoms to form CNb4V2 octahedra that share corners with six equivalent C(1)Nb4V2 octahedra, edges with four equivalent C(1)Nb4V2 octahedra, and edges with eight equivalent N(1)Nb2V4 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to two equivalent Nb(1) and four equivalent V(1) atoms to form NNb2V4 octahedra that share corners with six equivalent N(1)Nb2V4 octahedra, edges with four equivalent N(1)Nb2V4 octahedra, and edges with eight equivalent C(1)Nb4V2 octahedra. The corner-sharing octahedra are not tilted.
NbVCN is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. Nb(1) is bonded to four equivalent C(1) and two equivalent N(1) atoms to form NbC4N2 octahedra that share corners with six equivalent Nb(1)C4N2 octahedra, edges with four equivalent Nb(1)C4N2 octahedra, and edges with eight equivalent V(1)C2N4 octahedra. The corner-sharing octahedra are not tilted. All Nb(1)-C(1) bond lengths are 2.18 Å. Both Nb(1)-N(1) bond lengths are 2.15 Å. V(1) is bonded to two equivalent C(1) and four equivalent N(1) atoms to form VC2N4 octahedra that share corners with six equivalent V(1)C2N4 octahedra, edges with four equivalent V(1)C2N4 octahedra, and edges with eight equivalent Nb(1)C4N2 octahedra. The corner-sharing octahedra are not tilted. Both V(1)-C(1) bond lengths are 2.15 Å. All V(1)-N(1) bond lengths are 2.18 Å. C(1) is bonded to four equivalent Nb(1) and two equivalent V(1) atoms to form CNb4V2 octahedra that share corners with six equivalent C(1)Nb4V2 octahedra, edges with four equivalent C(1)Nb4V2 octahedra, and edges with eight equivalent N(1)Nb2V4 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to two equivalent Nb(1) and four equivalent V(1) atoms to form NNb2V4 octahedra that share corners with six equivalent N(1)Nb2V4 octahedra, edges with four equivalent N(1)Nb2V4 octahedra, and edges with eight equivalent C(1)Nb4V2 octahedra. The corner-sharing octahedra are not tilted.