CaHfN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent N(1) atoms to form CaN6 octahedra that share corners with six equivalent Hf(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Hf(1)N6 octahedra. The corner-sharing octahedral tilt angles are 8°. Hf(1) is bonded to six equivalent N(1) atoms to form HfN6 octahedra that share corners with six equivalent Ca(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Hf(1)N6 octahedra. The corner-sharing octahedral tilt angles are 8°. N(1) is bonded to three equivalent Ca(1) and three equivalent Hf(1) atoms to form a mixture of edge and corner-sharing NCa3Hf3 octahedra. The corner-sharing octahedra are not tilted.
CaHfN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent N(1) atoms to form CaN6 octahedra that share corners with six equivalent Hf(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Hf(1)N6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Ca(1)-N(1) bond lengths are 2.48 Å. Hf(1) is bonded to six equivalent N(1) atoms to form HfN6 octahedra that share corners with six equivalent Ca(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Hf(1)N6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Hf(1)-N(1) bond lengths are 2.23 Å. N(1) is bonded to three equivalent Ca(1) and three equivalent Hf(1) atoms to form a mixture of edge and corner-sharing NCa3Hf3 octahedra. The corner-sharing octahedra are not tilted.