Hf2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Hf(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing HfC3N3 octahedra. The corner-sharing octahedra are not tilted. C(1) is bonded to six equivalent Hf(1) atoms to form CHf6 octahedra that share corners with six equivalent N(1)Hf6 octahedra, edges with six equivalent C(1)Hf6 octahedra, and edges with six equivalent N(1)Hf6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to six equivalent Hf(1) atoms to form NHf6 octahedra that share corners with six equivalent C(1)Hf6 octahedra, edges with six equivalent C(1)Hf6 octahedra, and edges with six equivalent N(1)Hf6 octahedra. The corner-sharing octahedral tilt angles are 1°.
Hf2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Hf(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing HfC3N3 octahedra. The corner-sharing octahedra are not tilted. All Hf(1)-C(1) bond lengths are 2.28 Å. All Hf(1)-N(1) bond lengths are 2.30 Å. C(1) is bonded to six equivalent Hf(1) atoms to form CHf6 octahedra that share corners with six equivalent N(1)Hf6 octahedra, edges with six equivalent C(1)Hf6 octahedra, and edges with six equivalent N(1)Hf6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to six equivalent Hf(1) atoms to form NHf6 octahedra that share corners with six equivalent C(1)Hf6 octahedra, edges with six equivalent C(1)Hf6 octahedra, and edges with six equivalent N(1)Hf6 octahedra. The corner-sharing octahedral tilt angles are 1°.