Pb2CuB2O6 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Pb(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cu(1), one B(1), and one Pb(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cu(1), one B(1), and one Pb(1) atom.
Pb2CuB2O6 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Cu(1)-O(2) bond lengths are 1.95 Å. Both Cu(1)-O(3) bond lengths are 1.99 Å. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(1)-O(1) bond length is 1.39 Å. The B(1)-O(2) bond length is 1.40 Å. The B(1)-O(3) bond length is 1.38 Å. Pb(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Pb(1)-O(2) bond length is 2.51 Å. The Pb(1)-O(3) bond length is 2.65 Å. There is one shorter (2.45 Å) and one longer (2.48 Å) Pb(1)-O(1) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cu(1), one B(1), and one Pb(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cu(1), one B(1), and one Pb(1) atom.