Li4(CuO2)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OLi3Cu2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and two equivalent Cu(1) atoms to form a mixture of corner and edge-sharing OLi3Cu2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Li(1), one Li(3), one Cu(1), and one Cu(2) atom.
Li4(CuO2)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. The Li(1)-O(3) bond length is 1.97 Å. The Li(1)-O(4) bond length is 1.92 Å. There is one shorter (1.99 Å) and one longer (2.01 Å) Li(1)-O(1) bond length. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Li(2)-O(2) bond length is 1.90 Å. The Li(2)-O(3) bond length is 1.93 Å. Both Li(2)-O(1) bond lengths are 1.97 Å. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Li(3)-O(2) bond lengths are 2.21 Å. Both Li(3)-O(4) bond lengths are 2.00 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Cu(1)-O(1) bond length is 1.88 Å. The Cu(1)-O(2) bond length is 1.89 Å. The Cu(1)-O(3) bond length is 1.88 Å. The Cu(1)-O(4) bond length is 1.84 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. Both Cu(2)-O(1) bond lengths are 1.93 Å. Both Cu(2)-O(4) bond lengths are 1.89 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OLi3Cu2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and two equivalent Cu(1) atoms to form a mixture of corner and edge-sharing OLi3Cu2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Li(1), one Li(3), one Cu(1), and one Cu(2) atom.