HfNbCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Hf(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form HfC3N3 octahedra that share corners with six equivalent Nb(1)C3N3 octahedra, edges with six equivalent Hf(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles are 1°. Nb(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form NbC3N3 octahedra that share corners with six equivalent Hf(1)C3N3 octahedra, edges with six equivalent Hf(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles are 1°. C(1) is bonded to three equivalent Hf(1) and three equivalent Nb(1) atoms to form CHf3Nb3 octahedra that share corners with six equivalent N(1)Hf3Nb3 octahedra, edges with six equivalent C(1)Hf3Nb3 octahedra, and edges with six equivalent N(1)Hf3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. N(1) is bonded to three equivalent Hf(1) and three equivalent Nb(1) atoms to form NHf3Nb3 octahedra that share corners with six equivalent C(1)Hf3Nb3 octahedra, edges with six equivalent C(1)Hf3Nb3 octahedra, and edges with six equivalent N(1)Hf3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°.
HfNbCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Hf(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form HfC3N3 octahedra that share corners with six equivalent Nb(1)C3N3 octahedra, edges with six equivalent Hf(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles are 1°. All Hf(1)-C(1) bond lengths are 2.26 Å. All Hf(1)-N(1) bond lengths are 2.28 Å. Nb(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form NbC3N3 octahedra that share corners with six equivalent Hf(1)C3N3 octahedra, edges with six equivalent Hf(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nb(1)-C(1) bond lengths are 2.24 Å. All Nb(1)-N(1) bond lengths are 2.30 Å. C(1) is bonded to three equivalent Hf(1) and three equivalent Nb(1) atoms to form CHf3Nb3 octahedra that share corners with six equivalent N(1)Hf3Nb3 octahedra, edges with six equivalent C(1)Hf3Nb3 octahedra, and edges with six equivalent N(1)Hf3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. N(1) is bonded to three equivalent Hf(1) and three equivalent Nb(1) atoms to form NHf3Nb3 octahedra that share corners with six equivalent C(1)Hf3Nb3 octahedra, edges with six equivalent C(1)Hf3Nb3 octahedra, and edges with six equivalent N(1)Hf3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°.