Li2Cu2(SO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra,  an edgeedge with one Cu(1)O5 square pyramid,  an edgeedge with one S(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Cu(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CuO5 square pyramids that share corners with two equivalent S(2)O4 tetrahedra, corners with three equivalent S(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form SO4 tetrahedra that share corners with three equivalent Cu(1)O5 square pyramids, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second S site, S(2) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form SO4 tetrahedra that share corners with four equivalent Cu(1)O5 square pyramids and corners with two equivalent Li(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one S(1) atom. In the second O site, O(5) is bonded in a distorted linear geometry to one Cu(1) and one S(2) atom. In the third O site, O(6) is bonded in a bent 150 degrees geometry to one Cu(1) and one S(1) atom. In the fourth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(1), and one S(2) atom. In the fifth O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one S(1) atom.
Li2Cu2(SO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra,  an edgeedge with one Cu(1)O5 square pyramid,  an edgeedge with one S(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Li(1)-O(1) bond length is 2.12 Å. The Li(1)-O(3) bond length is 2.14 Å. The Li(1)-O(4) bond length is 2.25 Å. There is one shorter (2.00 Å) and one longer (2.06 Å) Li(1)-O(2) bond length. Cu(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CuO5 square pyramids that share corners with two equivalent S(2)O4 tetrahedra, corners with three equivalent S(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Cu(1)-O(1) bond length is 1.98 Å. The Cu(1)-O(3) bond length is 2.00 Å. The Cu(1)-O(4) bond length is 2.08 Å. The Cu(1)-O(5) bond length is 2.16 Å. The Cu(1)-O(6) bond length is 1.99 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form SO4 tetrahedra that share corners with three equivalent Cu(1)O5 square pyramids, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The S(1)-O(2) bond length is 1.47 Å. The S(1)-O(3) bond length is 1.51 Å. The S(1)-O(4) bond length is 1.51 Å. The S(1)-O(6) bond length is 1.47 Å. In the second S site, S(2) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form SO4 tetrahedra that share corners with four equivalent Cu(1)O5 square pyramids and corners with two equivalent Li(1)O5 trigonal bipyramids. Both S(2)-O(1) bond lengths are 1.52 Å. Both S(2)-O(5) bond lengths are 1.46 Å. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one S(1) atom. In the second O site, O(5) is bonded in a distorted linear geometry to one Cu(1) and one S(2) atom. In the third O site, O(6) is bonded in a bent 150 degrees geometry to one Cu(1) and one S(1) atom. In the fourth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(1), and one S(2) atom. In the fifth O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one S(1) atom.