NaNbN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent N(1) atoms to form distorted NaN6 octahedra that share corners with six equivalent Nb(1)N6 octahedra, edges with six equivalent Na(1)N6 octahedra, and edges with six equivalent Nb(1)N6 octahedra. The corner-sharing octahedral tilt angles are 12°. Nb(1) is bonded to six equivalent N(1) atoms to form NbN6 octahedra that share corners with six equivalent Na(1)N6 octahedra, edges with six equivalent Na(1)N6 octahedra, and edges with six equivalent Nb(1)N6 octahedra. The corner-sharing octahedral tilt angles are 12°. N(1) is bonded to three equivalent Na(1) and three equivalent Nb(1) atoms to form a mixture of edge and corner-sharing NNa3Nb3 octahedra. The corner-sharing octahedra are not tilted.
NaNbN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent N(1) atoms to form distorted NaN6 octahedra that share corners with six equivalent Nb(1)N6 octahedra, edges with six equivalent Na(1)N6 octahedra, and edges with six equivalent Nb(1)N6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Na(1)-N(1) bond lengths are 2.50 Å. Nb(1) is bonded to six equivalent N(1) atoms to form NbN6 octahedra that share corners with six equivalent Na(1)N6 octahedra, edges with six equivalent Na(1)N6 octahedra, and edges with six equivalent Nb(1)N6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Nb(1)-N(1) bond lengths are 2.13 Å. N(1) is bonded to three equivalent Na(1) and three equivalent Nb(1) atoms to form a mixture of edge and corner-sharing NNa3Nb3 octahedra. The corner-sharing octahedra are not tilted.