Li2Cu(HO)4 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one H(3), one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing LiO6 octahedra. The corner-sharing octahedral tilt angles range from 13-20°. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Li(1) and one O(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Li(2), one Cu(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Li(2), one Cu(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(2), two equivalent Li(1), one Cu(1), and one H(4) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(1), one Li(2), one Cu(1), and one H(3) atom.
Li2Cu(HO)4 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one H(3), one O(1), one O(2), one O(4), and two equivalent O(3) atoms. The Li(1)-H(3) bond length is 2.17 Å. The Li(1)-O(1) bond length is 2.05 Å. The Li(1)-O(2) bond length is 2.02 Å. The Li(1)-O(4) bond length is 2.11 Å. There is one shorter (2.29 Å) and one longer (2.43 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing LiO6 octahedra. The corner-sharing octahedral tilt angles range from 13-20°. The Li(2)-O(3) bond length is 2.21 Å. The Li(2)-O(4) bond length is 2.23 Å. There is one shorter (2.30 Å) and one longer (2.31 Å) Li(2)-O(1) bond length. There is one shorter (2.22 Å) and one longer (2.29 Å) Li(2)-O(2) bond length. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Cu(1)-O(1) bond length is 1.96 Å. The Cu(1)-O(2) bond length is 1.96 Å. The Cu(1)-O(3) bond length is 2.02 Å. The Cu(1)-O(4) bond length is 2.02 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. The H(1)-O(2) bond length is 0.97 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. The H(2)-O(1) bond length is 0.97 Å. In the third H site, H(3) is bonded in a single-bond geometry to one Li(1) and one O(4) atom. The H(3)-O(4) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. The H(4)-O(3) bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Li(2), one Cu(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Li(2), one Cu(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(2), two equivalent Li(1), one Cu(1), and one H(4) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(1), one Li(2), one Cu(1), and one H(3) atom.