LiCu2(CO3)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one O(2), one O(6), and two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(5) atoms. 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(3), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), 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 4-coordinate geometry to one Li(1), two equivalent Cu(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent 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(1), and one C(2) atom.
LiCu2(CO3)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(4), and one O(6) atom. The Li(1)-O(1) bond length is 1.99 Å. The Li(1)-O(2) bond length is 1.96 Å. The Li(1)-O(4) bond length is 2.00 Å. The Li(1)-O(6) bond length is 1.94 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one O(2), one O(6), and two equivalent O(1) atoms. The Cu(1)-O(2) bond length is 1.92 Å. The Cu(1)-O(6) bond length is 1.90 Å. There is one shorter (2.11 Å) and one longer (2.41 Å) Cu(1)-O(1) bond length. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(5) atoms. The Cu(2)-O(3) bond length is 1.90 Å. The Cu(2)-O(4) bond length is 1.92 Å. There is one shorter (2.19 Å) and one longer (2.27 Å) Cu(2)-O(5) bond length. 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(3), and one O(4) atom. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(3) bond length is 1.28 Å. The C(1)-O(4) bond length is 1.31 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. The C(2)-O(2) bond length is 1.30 Å. The C(2)-O(5) bond length is 1.28 Å. The C(2)-O(6) bond length is 1.31 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cu(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent 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(1), and one C(2) atom.