Cu6PbO8 crystallizes in the cubic Fm-3m space group. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with two equivalent Pb(1)O6 octahedra, and edges with eight equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Pb(1) is bonded to six equivalent O(2) atoms to form PbO6 octahedra that share edges with twelve equivalent Cu(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to six equivalent Cu(1) atoms to form OCu6 octahedra that share corners with six equivalent O(1)Cu6 octahedra and edges with twelve equivalent O(2)Cu4Pb square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Cu(1) and one Pb(1) atom to form OCu4Pb square pyramids that share corners with nine equivalent O(2)Cu4Pb square pyramids, edges with four equivalent O(1)Cu6 octahedra, and edges with four equivalent O(2)Cu4Pb square pyramids.
Cu6PbO8 crystallizes in the cubic Fm-3m space group. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with two equivalent Pb(1)O6 octahedra, and edges with eight equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both Cu(1)-O(1) bond lengths are 2.16 Å. All Cu(1)-O(2) bond lengths are 2.16 Å. Pb(1) is bonded to six equivalent O(2) atoms to form PbO6 octahedra that share edges with twelve equivalent Cu(1)O6 octahedra. All Pb(1)-O(2) bond lengths are 2.17 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to six equivalent Cu(1) atoms to form OCu6 octahedra that share corners with six equivalent O(1)Cu6 octahedra and edges with twelve equivalent O(2)Cu4Pb square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Cu(1) and one Pb(1) atom to form OCu4Pb square pyramids that share corners with nine equivalent O(2)Cu4Pb square pyramids, edges with four equivalent O(1)Cu6 octahedra, and edges with four equivalent O(2)Cu4Pb square pyramids.