Cu2CdB2O6 crystallizes in the monoclinic P2_1/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(2), one O(3), and two equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), and two equivalent O(4) atoms. Cd(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing CdO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one B(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cd(1), and one B(2) atom. In the third O site, O(2) is bonded to one Cu(1), one Cu(2), and two equivalent Cd(1) atoms to form corner-sharing OCd2Cu2 tetrahedra. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cd(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Cu(2), one Cd(1), and one B(1) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one B(1), and one B(2) atom.
Cu2CdB2O6 crystallizes in the monoclinic P2_1/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(2), one O(3), and two equivalent O(6) atoms. The Cu(1)-O(2) bond length is 1.90 Å. The Cu(1)-O(3) bond length is 1.94 Å. Both Cu(1)-O(6) bond lengths are 1.98 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), and two equivalent O(4) atoms. The Cu(2)-O(1) bond length is 1.99 Å. The Cu(2)-O(2) bond length is 1.86 Å. The Cu(2)-O(5) bond length is 2.22 Å. There is one shorter (1.96 Å) and one longer (2.65 Å) Cu(2)-O(4) bond length. Cd(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing CdO6 octahedra. The Cd(1)-O(3) bond length is 2.32 Å. The Cd(1)-O(4) bond length is 2.33 Å. There is one shorter (2.35 Å) and one longer (2.56 Å) Cd(1)-O(1) bond length. There is one shorter (2.26 Å) and one longer (2.31 Å) Cd(1)-O(2) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. The B(1)-O(4) bond length is 1.36 Å. The B(1)-O(5) bond length is 1.42 Å. The B(1)-O(6) bond length is 1.38 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. The B(2)-O(1) bond length is 1.38 Å. The B(2)-O(3) bond length is 1.34 Å. The B(2)-O(5) bond length is 1.43 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one B(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cd(1), and one B(2) atom. In the third O site, O(2) is bonded to one Cu(1), one Cu(2), and two equivalent Cd(1) atoms to form corner-sharing OCd2Cu2 tetrahedra. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cd(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Cu(2), one Cd(1), and one B(1) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one B(1), and one B(2) atom.