LiCu2C2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form face-sharing LiO6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two 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(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Cu(1) and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one C(2) atom.
LiCu2C2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form face-sharing LiO6 octahedra. There is one shorter (2.15 Å) and one longer (2.30 Å) Li(1)-O(5) bond length. There is one shorter (2.17 Å) and one longer (2.21 Å) Li(1)-O(6) bond length. There is one shorter (2.11 Å) and one longer (2.13 Å) Li(1)-O(7) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. The Cu(1)-O(3) bond length is 1.96 Å. The Cu(1)-O(4) bond length is 1.86 Å. There is one shorter (1.95 Å) and one longer (1.99 Å) Cu(1)-O(1) bond length. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Cu(2)-O(2) bond length is 1.85 Å. The Cu(2)-O(3) bond length is 1.98 Å. There is one shorter (1.93 Å) and one longer (1.97 Å) Cu(2)-O(1) 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(3), one O(4), and one O(5) atom. The C(1)-O(3) bond length is 1.34 Å. The C(1)-O(4) bond length is 1.29 Å. The C(1)-O(5) bond length is 1.24 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(7) atom. The C(2)-O(2) bond length is 1.34 Å. The C(2)-O(6) bond length is 1.27 Å. The C(2)-O(7) bond length is 1.27 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Cu(1) and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one C(2) atom.