Cu3B4Pb2O11 crystallizes in the monoclinic P2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. In the second B site, B(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(1), one B(2), and one Pb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(2), one B(1), and one Pb(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(2), one B(2), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one B(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent B(2) and two equivalent Pb(1) atoms.
Cu3B4Pb2O11 crystallizes in the monoclinic P2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(4) atoms. The Cu(1)-O(1) bond length is 1.91 Å. The Cu(1)-O(3) bond length is 1.95 Å. There is one shorter (1.93 Å) and one longer (1.95 Å) Cu(1)-O(4) bond length. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Cu(2)-O(2) bond lengths are 2.00 Å. Both Cu(2)-O(3) bond lengths are 1.94 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. The B(1)-O(2) bond length is 1.37 Å. The B(1)-O(4) bond length is 1.38 Å. The B(1)-O(5) bond length is 1.40 Å. In the second B site, B(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. The B(2)-O(1) bond length is 1.43 Å. The B(2)-O(3) bond length is 1.52 Å. The B(2)-O(5) bond length is 1.50 Å. The B(2)-O(6) bond length is 1.53 Å. Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(6) atom. The Pb(1)-O(1) bond length is 2.40 Å. The Pb(1)-O(2) bond length is 2.48 Å. The Pb(1)-O(3) bond length is 2.43 Å. The Pb(1)-O(6) bond length is 2.44 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(1), one B(2), and one Pb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(2), one B(1), and one Pb(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(2), one B(2), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one B(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent B(2) and two equivalent Pb(1) atoms.