LiCu2(CO3)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with three equivalent Cu(2)O4 trigonal pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Cu site, Cu(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted CuO4 trigonal pyramids that share corners with three equivalent Li(1)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(2), and one C(2) atom.
LiCu2(CO3)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with three equivalent Cu(2)O4 trigonal pyramids. The Li(1)-O(3) bond length is 2.00 Å. The Li(1)-O(4) bond length is 1.92 Å. The Li(1)-O(5) bond length is 1.95 Å. The Li(1)-O(6) bond length is 1.93 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), one O(3), and one O(5) atom. The Cu(1)-O(1) bond length is 1.92 Å. The Cu(1)-O(2) bond length is 1.94 Å. The Cu(1)-O(3) bond length is 1.95 Å. The Cu(1)-O(5) bond length is 2.61 Å. In the second Cu site, Cu(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted CuO4 trigonal pyramids that share corners with three equivalent Li(1)O4 tetrahedra. The Cu(2)-O(2) bond length is 2.42 Å. The Cu(2)-O(4) bond length is 2.01 Å. The Cu(2)-O(5) bond length is 2.00 Å. The Cu(2)-O(6) bond length is 1.97 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.29 Å. The C(1)-O(2) bond length is 1.30 Å. The C(1)-O(3) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. The C(2)-O(4) bond length is 1.29 Å. The C(2)-O(5) bond length is 1.31 Å. The C(2)-O(6) bond length is 1.29 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(2), and one C(2) atom.