Cu2BO6 crystallizes in the orthorhombic Pnma space group. Cu(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(5) is bonded in a water-like geometry to two equivalent Cu(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cu(1) and one B(1) atom. In the third O site, O(2) is bonded in a water-like geometry to two equivalent Cu(1) atoms. In the fourth O site, O(3) is bonded in a water-like geometry to two equivalent Cu(1) atoms. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one B(1) atom.
Cu2BO6 crystallizes in the orthorhombic Pnma space group. Cu(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. The Cu(1)-O(2) bond length is 1.83 Å. The Cu(1)-O(3) bond length is 1.85 Å. The Cu(1)-O(4) bond length is 1.89 Å. The Cu(1)-O(5) bond length is 1.82 Å. There is one shorter (2.50 Å) and one longer (2.62 Å) Cu(1)-O(1) bond length. B(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(1) atoms. The B(1)-O(4) bond length is 1.40 Å. Both B(1)-O(1) bond lengths are 1.36 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded in a water-like geometry to two equivalent Cu(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cu(1) and one B(1) atom. In the third O site, O(2) is bonded in a water-like geometry to two equivalent Cu(1) atoms. In the fourth O site, O(3) is bonded in a water-like geometry to two equivalent Cu(1) atoms. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one B(1) atom.