NbMoN2 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 Mo(1)N6 octahedra, edges with six equivalent Nb(1)N6 octahedra, and edges with six equivalent Mo(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. Mo(1) is bonded to six equivalent N(1) atoms to form MoN6 octahedra that share corners with six equivalent Nb(1)N6 octahedra, edges with six equivalent Nb(1)N6 octahedra, and edges with six equivalent Mo(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Nb(1) and three equivalent Mo(1) atoms to form a mixture of edge and corner-sharing NNb3Mo3 octahedra. The corner-sharing octahedra are not tilted.
NbMoN2 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 Mo(1)N6 octahedra, edges with six equivalent Nb(1)N6 octahedra, and edges with six equivalent Mo(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nb(1)-N(1) bond lengths are 2.21 Å. Mo(1) is bonded to six equivalent N(1) atoms to form MoN6 octahedra that share corners with six equivalent Nb(1)N6 octahedra, edges with six equivalent Nb(1)N6 octahedra, and edges with six equivalent Mo(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Mo(1)-N(1) bond lengths are 2.19 Å. N(1) is bonded to three equivalent Nb(1) and three equivalent Mo(1) atoms to form a mixture of edge and corner-sharing NNb3Mo3 octahedra. The corner-sharing octahedra are not tilted.