Cu6SnO8 crystallizes in the trigonal R-3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Sn(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Cu(2), two equivalent Cu(1), and one Sn(1) atom to form a mixture of edge and corner-sharing OCu3Sn tetrahedra. In the second O site, O(2) is bonded to three equivalent Cu(2) and one Sn(1) atom to form a mixture of edge and corner-sharing OCu3Sn tetrahedra.
Cu6SnO8 crystallizes in the trigonal R-3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.92 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(2)-O(1) bond lengths are 1.92 Å. Both Cu(2)-O(2) bond lengths are 1.91 Å. Sn(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Both Sn(1)-O(2) bond lengths are 2.23 Å. All Sn(1)-O(1) bond lengths are 2.20 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Cu(2), two equivalent Cu(1), and one Sn(1) atom to form a mixture of edge and corner-sharing OCu3Sn tetrahedra. In the second O site, O(2) is bonded to three equivalent Cu(2) and one Sn(1) atom to form a mixture of edge and corner-sharing OCu3Sn tetrahedra.