ZrHfCN 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 Zr(1)C3N3 octahedra, edges with six equivalent Hf(1)C3N3 octahedra, and edges with six equivalent Zr(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. Zr(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form ZrC3N3 octahedra that share corners with six equivalent Hf(1)C3N3 octahedra, edges with six equivalent Hf(1)C3N3 octahedra, and edges with six equivalent Zr(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. C(1) is bonded to three equivalent Hf(1) and three equivalent Zr(1) atoms to form CHf3Zr3 octahedra that share corners with six equivalent N(1)Hf3Zr3 octahedra, edges with six equivalent C(1)Hf3Zr3 octahedra, and edges with six equivalent N(1)Hf3Zr3 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Hf(1) and three equivalent Zr(1) atoms to form NHf3Zr3 octahedra that share corners with six equivalent C(1)Hf3Zr3 octahedra, edges with six equivalent C(1)Hf3Zr3 octahedra, and edges with six equivalent N(1)Hf3Zr3 octahedra. The corner-sharing octahedral tilt angles are 1°.
ZrHfCN 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 Zr(1)C3N3 octahedra, edges with six equivalent Hf(1)C3N3 octahedra, and edges with six equivalent Zr(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. All Hf(1)-C(1) bond lengths are 2.29 Å. All Hf(1)-N(1) bond lengths are 2.30 Å. Zr(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form ZrC3N3 octahedra that share corners with six equivalent Hf(1)C3N3 octahedra, edges with six equivalent Hf(1)C3N3 octahedra, and edges with six equivalent Zr(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. All Zr(1)-C(1) bond lengths are 2.32 Å. All Zr(1)-N(1) bond lengths are 2.35 Å. C(1) is bonded to three equivalent Hf(1) and three equivalent Zr(1) atoms to form CHf3Zr3 octahedra that share corners with six equivalent N(1)Hf3Zr3 octahedra, edges with six equivalent C(1)Hf3Zr3 octahedra, and edges with six equivalent N(1)Hf3Zr3 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Hf(1) and three equivalent Zr(1) atoms to form NHf3Zr3 octahedra that share corners with six equivalent C(1)Hf3Zr3 octahedra, edges with six equivalent C(1)Hf3Zr3 octahedra, and edges with six equivalent N(1)Hf3Zr3 octahedra. The corner-sharing octahedral tilt angles are 1°.