Li2Cu3(CO3)3 crystallizes in the monoclinic Pm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(5), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids, corners with two equivalent Cu(2)O5 trigonal bipyramids, and corners with two equivalent Cu(3)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(11), one O(2), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids, corners with two equivalent Cu(2)O5 trigonal bipyramids, and corners with two equivalent Cu(3)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(12), one O(8), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, corners with two equivalent Cu(2)O5 trigonal bipyramids, and corners with two equivalent Cu(3)O5 trigonal bipyramids. In the fourth Li site, Li(4) is bonded to one O(13), one O(9), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, corners with two equivalent Cu(2)O5 trigonal bipyramids, and corners with two equivalent Cu(3)O5 trigonal bipyramids. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(10), one O(11), one O(5), one O(6), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. In the second Cu site, Cu(2) is bonded to one O(1), one O(12), one O(13), one O(2), and one O(3) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and edges with two equivalent Cu(2)O5 trigonal bipyramids. In the third Cu site, Cu(3) is bonded to one O(14), one O(15), one O(4), one O(8), and one O(9) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and edges with two equivalent Cu(3)O5 trigonal bipyramids. There are five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(7) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(14) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(11), one O(13), and one O(15) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(2) and one C(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Cu(2), and one C(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(3), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cu(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one C(3) atom. In the seventh O site, O(7) is bonded to one Li(3), one Li(4), one Cu(1), and one C(1) atom to form distorted OLi2CuC tetrahedra that share  a cornercorner with one O(11)LiCu2C tetrahedra,  a cornercorner with one O(12)LiCu2C tetrahedra,  a cornercorner with one O(8)LiCu2C tetrahedra, and corners with two equivalent O(7)Li2CuC tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Cu(3), and one C(2) atom to form distorted OLiCu2C tetrahedra that share  a cornercorner with one O(12)LiCu2C tetrahedra and corners with two equivalent O(7)Li2CuC tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Cu(3), and one C(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one C(4) atom. In the eleventh O site, O(11) is bonded to one Li(2), two equivalent Cu(1), and one C(5) atom to form distorted corner-sharing OLiCu2C tetrahedra. In the twelfth O site, O(12) is bonded to one Li(3), two equivalent Cu(2), and one C(4) atom to form distorted OLiCu2C tetrahedra that share  a cornercorner with one O(8)LiCu2C tetrahedra and corners with two equivalent O(7)Li2CuC tetrahedra. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Cu(2), and one C(5) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cu(3), and one C(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to two equivalent Cu(3) and one C(5) atom.
Li2Cu3(CO3)3 crystallizes in the monoclinic Pm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(5), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids, corners with two equivalent Cu(2)O5 trigonal bipyramids, and corners with two equivalent Cu(3)O5 trigonal bipyramids. The Li(1)-O(14) bond length is 1.98 Å. The Li(1)-O(5) bond length is 1.96 Å. Both Li(1)-O(3) bond lengths are 1.95 Å. In the second Li site, Li(2) is bonded to one O(11), one O(2), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids, corners with two equivalent Cu(2)O5 trigonal bipyramids, and corners with two equivalent Cu(3)O5 trigonal bipyramids. The Li(2)-O(11) bond length is 1.99 Å. The Li(2)-O(2) bond length is 1.95 Å. Both Li(2)-O(4) bond lengths are 1.94 Å. In the third Li site, Li(3) is bonded to one O(12), one O(8), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, corners with two equivalent Cu(2)O5 trigonal bipyramids, and corners with two equivalent Cu(3)O5 trigonal bipyramids. The Li(3)-O(12) bond length is 1.97 Å. The Li(3)-O(8) bond length is 1.97 Å. Both Li(3)-O(7) bond lengths are 1.96 Å. In the fourth Li site, Li(4) is bonded to one O(13), one O(9), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, corners with two equivalent Cu(2)O5 trigonal bipyramids, and corners with two equivalent Cu(3)O5 trigonal bipyramids. The Li(4)-O(13) bond length is 1.99 Å. The Li(4)-O(9) bond length is 1.97 Å. Both Li(4)-O(7) bond lengths are 1.98 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(10), one O(11), one O(5), one O(6), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. The Cu(1)-O(10) bond length is 2.15 Å. The Cu(1)-O(11) bond length is 2.16 Å. The Cu(1)-O(5) bond length is 2.16 Å. The Cu(1)-O(6) bond length is 2.14 Å. The Cu(1)-O(7) bond length is 2.14 Å. In the second Cu site, Cu(2) is bonded to one O(1), one O(12), one O(13), one O(2), and one O(3) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and edges with two equivalent Cu(2)O5 trigonal bipyramids. The Cu(2)-O(1) bond length is 2.15 Å. The Cu(2)-O(12) bond length is 2.19 Å. The Cu(2)-O(13) bond length is 2.22 Å. The Cu(2)-O(2) bond length is 2.15 Å. The Cu(2)-O(3) bond length is 2.07 Å. In the third Cu site, Cu(3) is bonded to one O(14), one O(15), one O(4), one O(8), and one O(9) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and edges with two equivalent Cu(3)O5 trigonal bipyramids. The Cu(3)-O(14) bond length is 2.17 Å. The Cu(3)-O(15) bond length is 2.11 Å. The Cu(3)-O(4) bond length is 2.08 Å. The Cu(3)-O(8) bond length is 2.18 Å. The Cu(3)-O(9) bond length is 2.21 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(7) atom. The C(1)-O(3) bond length is 1.29 Å. The C(1)-O(4) bond length is 1.29 Å. The C(1)-O(7) bond length is 1.32 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(8) atom. The C(2)-O(1) bond length is 1.28 Å. The C(2)-O(5) bond length is 1.31 Å. The C(2)-O(8) bond length is 1.32 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(9) atom. The C(3)-O(2) bond length is 1.32 Å. The C(3)-O(6) bond length is 1.29 Å. The C(3)-O(9) bond length is 1.31 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(14) atom. The C(4)-O(10) bond length is 1.29 Å. The C(4)-O(12) bond length is 1.31 Å. The C(4)-O(14) bond length is 1.31 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(11), one O(13), and one O(15) atom. The C(5)-O(11) bond length is 1.31 Å. The C(5)-O(13) bond length is 1.30 Å. The C(5)-O(15) bond length is 1.29 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(2) and one C(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Cu(2), and one C(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(3), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cu(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one C(3) atom. In the seventh O site, O(7) is bonded to one Li(3), one Li(4), one Cu(1), and one C(1) atom to form distorted OLi2CuC tetrahedra that share  a cornercorner with one O(11)LiCu2C tetrahedra,  a cornercorner with one O(12)LiCu2C tetrahedra,  a cornercorner with one O(8)LiCu2C tetrahedra, and corners with two equivalent O(7)Li2CuC tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Cu(3), and one C(2) atom to form distorted OLiCu2C tetrahedra that share  a cornercorner with one O(12)LiCu2C tetrahedra and corners with two equivalent O(7)Li2CuC tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Cu(3), and one C(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one C(4) atom. In the eleventh O site, O(11) is bonded to one Li(2), two equivalent Cu(1), and one C(5) atom to form distorted corner-sharing OLiCu2C tetrahedra. In the twelfth O site, O(12) is bonded to one Li(3), two equivalent Cu(2), and one C(4) atom to form distorted OLiCu2C tetrahedra that share  a cornercorner with one O(8)LiCu2C tetrahedra and corners with two equivalent O(7)Li2CuC tetrahedra. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Cu(2), and one C(5) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cu(3), and one C(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to two equivalent Cu(3) and one C(5) atom.