NbVN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nb(1) is bonded to six equivalent N(1) atoms to form NbN6 octahedra that share corners with six equivalent V(1)N6 octahedra, edges with six equivalent Nb(1)N6 octahedra, and edges with six equivalent V(1)N6 octahedra. The corner-sharing octahedral tilt angles are 4°. V(1) is bonded to six equivalent N(1) atoms to form VN6 octahedra that share corners with six equivalent Nb(1)N6 octahedra, edges with six equivalent Nb(1)N6 octahedra, and edges with six equivalent V(1)N6 octahedra. The corner-sharing octahedral tilt angles are 4°. N(1) is bonded to three equivalent Nb(1) and three equivalent V(1) atoms to form a mixture of edge and corner-sharing NNb3V3 octahedra. The corner-sharing octahedra are not tilted.
NbVN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nb(1) is bonded to six equivalent N(1) atoms to form NbN6 octahedra that share corners with six equivalent V(1)N6 octahedra, edges with six equivalent Nb(1)N6 octahedra, and edges with six equivalent V(1)N6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Nb(1)-N(1) bond lengths are 2.21 Å. V(1) is bonded to six equivalent N(1) atoms to form VN6 octahedra that share corners with six equivalent Nb(1)N6 octahedra, edges with six equivalent Nb(1)N6 octahedra, and edges with six equivalent V(1)N6 octahedra. The corner-sharing octahedral tilt angles are 4°. All V(1)-N(1) bond lengths are 2.09 Å. N(1) is bonded to three equivalent Nb(1) and three equivalent V(1) atoms to form a mixture of edge and corner-sharing NNb3V3 octahedra. The corner-sharing octahedra are not tilted.