LiCu2C2O7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(12), one O(13), one O(2), one O(3), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Cu(2)O4 tetrahedra and corners with three equivalent Cu(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(14), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Cu(1)O4 tetrahedra and corners with three equivalent Cu(4)O4 tetrahedra. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form CuO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and  a cornercorner with one Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-69°. In the second Cu site, Cu(2) is bonded to one O(13), one O(3), one O(5), and one O(8) atom to form CuO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and  a cornercorner with one Cu(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-69°. In the third Cu site, Cu(3) is bonded to one O(10), one O(12), one O(2), and one O(7) atom to form CuO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and  a cornercorner with one Cu(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 68-69°. In the fourth Cu site, Cu(4) is bonded to one O(14), one O(4), one O(6), and one O(7) atom to form CuO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and  a cornercorner with one Cu(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-68°. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(13), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(9) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(2) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(14), one O(4), and one O(6) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one C(3) atom. In the third O site, O(3) is bonded in a 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 trigonal planar geometry to one Li(2), one Cu(4), and one C(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Cu(4), and one C(4) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Cu(3) and one Cu(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Cu(1) and one Cu(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one C(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one C(3) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one C(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Cu(4), and one C(4) atom.
LiCu2C2O7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(12), one O(13), one O(2), one O(3), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Cu(2)O4 tetrahedra and corners with three equivalent Cu(3)O4 tetrahedra. The Li(1)-O(10) bond length is 2.16 Å. The Li(1)-O(12) bond length is 2.20 Å. The Li(1)-O(13) bond length is 2.25 Å. The Li(1)-O(2) bond length is 2.17 Å. The Li(1)-O(3) bond length is 2.16 Å. The Li(1)-O(5) bond length is 2.17 Å. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(14), one O(4), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Cu(1)O4 tetrahedra and corners with three equivalent Cu(4)O4 tetrahedra. The Li(2)-O(1) bond length is 2.16 Å. The Li(2)-O(11) bond length is 2.18 Å. The Li(2)-O(14) bond length is 2.19 Å. The Li(2)-O(4) bond length is 2.24 Å. The Li(2)-O(6) bond length is 2.15 Å. The Li(2)-O(9) bond length is 2.23 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form CuO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and  a cornercorner with one Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-69°. The Cu(1)-O(1) bond length is 1.99 Å. The Cu(1)-O(11) bond length is 2.00 Å. The Cu(1)-O(8) bond length is 1.76 Å. The Cu(1)-O(9) bond length is 1.98 Å. In the second Cu site, Cu(2) is bonded to one O(13), one O(3), one O(5), and one O(8) atom to form CuO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and  a cornercorner with one Cu(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-69°. The Cu(2)-O(13) bond length is 1.98 Å. The Cu(2)-O(3) bond length is 1.98 Å. The Cu(2)-O(5) bond length is 2.00 Å. The Cu(2)-O(8) bond length is 1.76 Å. In the third Cu site, Cu(3) is bonded to one O(10), one O(12), one O(2), and one O(7) atom to form CuO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and  a cornercorner with one Cu(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 68-69°. The Cu(3)-O(10) bond length is 1.98 Å. The Cu(3)-O(12) bond length is 1.98 Å. The Cu(3)-O(2) bond length is 2.00 Å. The Cu(3)-O(7) bond length is 1.76 Å. In the fourth Cu site, Cu(4) is bonded to one O(14), one O(4), one O(6), and one O(7) atom to form CuO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and  a cornercorner with one Cu(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-68°. The Cu(4)-O(14) bond length is 2.00 Å. The Cu(4)-O(4) bond length is 1.98 Å. The Cu(4)-O(6) bond length is 1.98 Å. The Cu(4)-O(7) bond length is 1.76 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(13), one O(3), and one O(5) atom. The C(1)-O(13) bond length is 1.29 Å. The C(1)-O(3) bond length is 1.30 Å. The C(1)-O(5) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(9) atom. The C(2)-O(1) bond length is 1.29 Å. The C(2)-O(11) bond length is 1.30 Å. The C(2)-O(9) bond length is 1.30 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(2) atom. The C(3)-O(10) bond length is 1.30 Å. The C(3)-O(12) bond length is 1.30 Å. The C(3)-O(2) bond length is 1.30 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(14), one O(4), and one O(6) atom. The C(4)-O(14) bond length is 1.29 Å. The C(4)-O(4) bond length is 1.30 Å. The C(4)-O(6) bond length is 1.30 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one C(3) atom. In the third O site, O(3) is bonded in a 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 trigonal planar geometry to one Li(2), one Cu(4), and one C(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Cu(4), and one C(4) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Cu(3) and one Cu(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Cu(1) and one Cu(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one C(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one Cu(3), and one C(3) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one C(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Cu(4), and one C(4) atom.