Li9Cu2(HO2)4 crystallizes in the orthorhombic Pmn2_1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(5), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing LiO6 octahedra. In the third Li site, Li(3) 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. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(6), and two equivalent O(4) atoms. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(4) atoms. In the seventh Li site, Li(7) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(7)O4 tetrahedra, and  an edgeedge with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(2) and one O(6) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are six inequivalent O sites. In the first O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(5), two equivalent Li(3), and one Cu(2) atom. In the second O site, O(3) is bonded to one Li(1), one Li(6), two equivalent Li(3), and one Cu(1) atom to form corner-sharing OLi4Cu trigonal bipyramids. In the third O site, O(4) is bonded in a distorted single-bond geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one H(2) atom. In the fourth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(5), two equivalent Li(7), and one Cu(1) atom. In the fifth O site, O(6) is bonded to one Li(4), one Li(6), two equivalent Li(7), and one Cu(2) atom to form corner-sharing OLi4Cu trigonal bipyramids. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Li(2), one Li(3), one Li(5), one Li(7), and one H(1) atom.
Li9Cu2(HO2)4 crystallizes in the orthorhombic Pmn2_1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(5), and two equivalent O(1) atoms. The Li(1)-O(3) bond length is 2.00 Å. The Li(1)-O(5) bond length is 1.92 Å. Both Li(1)-O(1) bond lengths are 2.01 Å. In the second Li site, Li(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing LiO6 octahedra. The Li(2)-O(2) bond length is 2.21 Å. The Li(2)-O(5) bond length is 2.07 Å. Both Li(2)-O(1) bond lengths are 2.16 Å. Both Li(2)-O(4) bond lengths are 2.24 Å. In the third Li site, Li(3) 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 Li(3)-O(1) bond length is 1.99 Å. The Li(3)-O(2) bond length is 2.01 Å. The Li(3)-O(3) bond length is 1.95 Å. The Li(3)-O(4) bond length is 2.08 Å. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(6), and two equivalent O(4) atoms. The Li(4)-O(2) bond length is 1.90 Å. The Li(4)-O(6) bond length is 2.11 Å. Both Li(4)-O(4) bond lengths are 2.18 Å. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms. The Li(5)-O(2) bond length is 2.03 Å. The Li(5)-O(5) bond length is 2.30 Å. Both Li(5)-O(1) bond lengths are 2.12 Å. Both Li(5)-O(4) bond lengths are 2.34 Å. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(4) atoms. The Li(6)-O(3) bond length is 1.97 Å. The Li(6)-O(6) bond length is 1.98 Å. Both Li(6)-O(4) bond lengths are 2.29 Å. In the seventh Li site, Li(7) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(7)O4 tetrahedra, and  an edgeedge with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. The Li(7)-O(1) bond length is 2.03 Å. The Li(7)-O(4) bond length is 2.00 Å. The Li(7)-O(5) bond length is 2.09 Å. The Li(7)-O(6) bond length is 1.92 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. The Cu(1)-O(3) bond length is 1.78 Å. The Cu(1)-O(5) bond length is 1.77 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(2) and one O(6) atom. The Cu(2)-O(2) bond length is 1.77 Å. The Cu(2)-O(6) bond length is 1.78 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. The H(2)-O(4) bond length is 0.98 Å. There are six inequivalent O sites. In the first O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(5), two equivalent Li(3), and one Cu(2) atom. In the second O site, O(3) is bonded to one Li(1), one Li(6), two equivalent Li(3), and one Cu(1) atom to form corner-sharing OLi4Cu trigonal bipyramids. In the third O site, O(4) is bonded in a distorted single-bond geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one H(2) atom. In the fourth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(5), two equivalent Li(7), and one Cu(1) atom. In the fifth O site, O(6) is bonded to one Li(4), one Li(6), two equivalent Li(7), and one Cu(2) atom to form corner-sharing OLi4Cu trigonal bipyramids. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Li(2), one Li(3), one Li(5), one Li(7), and one H(1) atom.