Na2CuBSO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Cu(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. S(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one B(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Cu(1), and one B(1) atom to form distorted edge-sharing ONa2CuB trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Na(1), one Cu(1), and one B(1) atom to form distorted edge-sharing ONa2CuB tetrahedra. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Na(1), one Cu(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Cu(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Cu(1), and one S(1) atom.
Na2CuBSO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Na(1)-O(1) bond length is 2.28 Å. The Na(1)-O(2) bond length is 2.41 Å. The Na(1)-O(3) bond length is 2.39 Å. The Na(1)-O(4) bond length is 2.49 Å. The Na(1)-O(5) bond length is 2.57 Å. The Na(1)-O(6) bond length is 2.91 Å. Cu(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. The Cu(1)-O(2) bond length is 1.86 Å. The Cu(1)-O(3) bond length is 1.90 Å. The Cu(1)-O(5) bond length is 2.01 Å. The Cu(1)-O(6) bond length is 1.96 Å. Both Cu(1)-O(4) bond lengths are 2.45 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 1.32 Å. The B(1)-O(2) bond length is 1.40 Å. The B(1)-O(3) bond length is 1.40 Å. S(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. The S(1)-O(5) bond length is 1.51 Å. The S(1)-O(6) bond length is 1.53 Å. Both S(1)-O(4) bond lengths are 1.47 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one B(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Cu(1), and one B(1) atom to form distorted edge-sharing ONa2CuB trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Na(1), one Cu(1), and one B(1) atom to form distorted edge-sharing ONa2CuB tetrahedra. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Na(1), one Cu(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Cu(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Cu(1), and one S(1) atom.