Zr2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Zr(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing ZrC3N3 octahedra. The corner-sharing octahedra are not tilted. C(1) is bonded to six equivalent Zr(1) atoms to form CZr6 octahedra that share corners with six equivalent N(1)Zr6 octahedra, edges with six equivalent C(1)Zr6 octahedra, and edges with six equivalent N(1)Zr6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to six equivalent Zr(1) atoms to form NZr6 octahedra that share corners with six equivalent C(1)Zr6 octahedra, edges with six equivalent C(1)Zr6 octahedra, and edges with six equivalent N(1)Zr6 octahedra. The corner-sharing octahedral tilt angles are 1°.
Zr2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Zr(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing ZrC3N3 octahedra. The corner-sharing octahedra are not tilted. All Zr(1)-C(1) bond lengths are 2.32 Å. All Zr(1)-N(1) bond lengths are 2.34 Å. C(1) is bonded to six equivalent Zr(1) atoms to form CZr6 octahedra that share corners with six equivalent N(1)Zr6 octahedra, edges with six equivalent C(1)Zr6 octahedra, and edges with six equivalent N(1)Zr6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to six equivalent Zr(1) atoms to form NZr6 octahedra that share corners with six equivalent C(1)Zr6 octahedra, edges with six equivalent C(1)Zr6 octahedra, and edges with six equivalent N(1)Zr6 octahedra. The corner-sharing octahedral tilt angles are 1°.