NiCuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. Cu(1) is bonded to six equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. O(1) is bonded to three equivalent Ni(1) and three equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OCu3Ni3 octahedra. The corner-sharing octahedra are not tilted.
NiCuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ni(1)-O(1) bond lengths are 2.09 Å. Cu(1) is bonded to six equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Cu(1)-O(1) bond lengths are 2.14 Å. O(1) is bonded to three equivalent Ni(1) and three equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OCu3Ni3 octahedra. The corner-sharing octahedra are not tilted.