HfZrN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Hf(1) is bonded to six equivalent N(1) atoms to form HfN6 octahedra that share corners with six equivalent Zr(1)N6 octahedra, edges with six equivalent Hf(1)N6 octahedra, and edges with six equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles are 3°. Zr(1) is bonded to six equivalent N(1) atoms to form ZrN6 octahedra that share corners with six equivalent Hf(1)N6 octahedra, edges with six equivalent Hf(1)N6 octahedra, and edges with six equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles are 3°. N(1) is bonded to three equivalent Hf(1) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing NHf3Zr3 octahedra. The corner-sharing octahedra are not tilted.
HfZrN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Hf(1) is bonded to six equivalent N(1) atoms to form HfN6 octahedra that share corners with six equivalent Zr(1)N6 octahedra, edges with six equivalent Hf(1)N6 octahedra, and edges with six equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Hf(1)-N(1) bond lengths are 2.23 Å. Zr(1) is bonded to six equivalent N(1) atoms to form ZrN6 octahedra that share corners with six equivalent Hf(1)N6 octahedra, edges with six equivalent Hf(1)N6 octahedra, and edges with six equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Zr(1)-N(1) bond lengths are 2.32 Å. N(1) is bonded to three equivalent Hf(1) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing NHf3Zr3 octahedra. The corner-sharing octahedra are not tilted.