Materials Data on NaTaN2 by Materials Project
NaTaN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent N3- atoms to form distorted NaN6 octahedra that share corners with six equivalent TaN6 octahedra, edges with six equivalent NaN6 octahedra, and edges with six equivalent TaN6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Na–N bond lengths are 2.52 Å. Ta5+ is bonded to six equivalent N3- atoms to form TaN6 octahedra that share corners with six equivalent NaN6 octahedra, edges with six equivalent NaN6 octahedra, and edges with six equivalent TaN6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Ta–N bond lengths are 2.12 Å. N3- is bonded to three equivalent Na1+ and three equivalent Ta5+ atoms to form a mixture of edge and corner-sharing NNa3Ta3 octahedra. The corner-sharing octahedral tilt angles are 0°.