LiCu2(CO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(18), one O(2), one O(3), and one O(8) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(12), one O(16), one O(3), and one O(6) atom to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(16), one O(17), one O(2), one O(5), and one O(7) atom to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(15), one O(4), and one O(8) atom. In the fourth Cu site, Cu(4) is bonded to one O(12), one O(15), one O(18), one O(5), and one O(9) atom to form corner-sharing CuO5 square pyramids. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(11), one O(3), and one O(9) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(8) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(13), and one O(7) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(16) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(17), one O(18), and one O(4) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one 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(2), one Cu(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Li(1), one Cu(3), and one C(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(2), one Cu(4), and one C(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one C(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cu(3), and one C(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cu(3) and one C(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one C(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Cu(1), one Cu(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(2), one Cu(3), and one C(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(2), one Cu(3), and one C(5) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Cu(3), one Cu(4), and one C(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one C(5) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(4), and one C(6) atom.
LiCu2(CO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(4), one O(7), and one O(8) atom. The Li(1)-O(4) bond length is 2.02 Å. The Li(1)-O(7) bond length is 2.02 Å. The Li(1)-O(8) bond length is 2.11 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(18), one O(2), one O(3), and one O(8) atom. The Li(2)-O(13) bond length is 2.28 Å. The Li(2)-O(14) bond length is 2.05 Å. The Li(2)-O(18) bond length is 2.08 Å. The Li(2)-O(2) bond length is 2.14 Å. The Li(2)-O(3) bond length is 2.17 Å. The Li(2)-O(8) bond length is 2.40 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(12), one O(16), one O(3), and one O(6) atom to form corner-sharing CuO5 square pyramids. The Cu(1)-O(1) bond length is 1.96 Å. The Cu(1)-O(12) bond length is 2.05 Å. The Cu(1)-O(16) bond length is 1.99 Å. The Cu(1)-O(3) bond length is 2.33 Å. The Cu(1)-O(6) bond length is 1.95 Å. In the second Cu site, Cu(2) is bonded to one O(16), one O(17), one O(2), one O(5), and one O(7) atom to form distorted corner-sharing CuO5 square pyramids. The Cu(2)-O(16) bond length is 2.05 Å. The Cu(2)-O(17) bond length is 1.93 Å. The Cu(2)-O(2) bond length is 2.34 Å. The Cu(2)-O(5) bond length is 1.98 Å. The Cu(2)-O(7) bond length is 2.02 Å. In the third Cu site, Cu(3) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(15), one O(4), and one O(8) atom. The Cu(3)-O(10) bond length is 1.95 Å. The Cu(3)-O(11) bond length is 1.99 Å. The Cu(3)-O(13) bond length is 1.96 Å. The Cu(3)-O(14) bond length is 2.12 Å. The Cu(3)-O(15) bond length is 2.46 Å. The Cu(3)-O(4) bond length is 2.68 Å. The Cu(3)-O(8) bond length is 2.26 Å. In the fourth Cu site, Cu(4) is bonded to one O(12), one O(15), one O(18), one O(5), and one O(9) atom to form corner-sharing CuO5 square pyramids. The Cu(4)-O(12) bond length is 2.01 Å. The Cu(4)-O(15) bond length is 1.95 Å. The Cu(4)-O(18) bond length is 2.31 Å. The Cu(4)-O(5) bond length is 1.99 Å. The Cu(4)-O(9) bond length is 1.97 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(2) atom. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(10) bond length is 1.29 Å. The C(1)-O(2) bond length is 1.27 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(11), one O(3), and one O(9) atom. The C(2)-O(11) bond length is 1.30 Å. The C(2)-O(3) bond length is 1.28 Å. The C(2)-O(9) bond length is 1.29 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(8) atom. The C(3)-O(5) bond length is 1.34 Å. The C(3)-O(6) bond length is 1.27 Å. The C(3)-O(8) bond length is 1.28 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(13), and one O(7) atom. The C(4)-O(12) bond length is 1.31 Å. The C(4)-O(13) bond length is 1.27 Å. The C(4)-O(7) bond length is 1.30 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(16) atom. The C(5)-O(14) bond length is 1.28 Å. The C(5)-O(15) bond length is 1.28 Å. The C(5)-O(16) bond length is 1.32 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(17), one O(18), and one O(4) atom. The C(6)-O(17) bond length is 1.30 Å. The C(6)-O(18) bond length is 1.29 Å. The C(6)-O(4) bond length is 1.27 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one 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(2), one Cu(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Li(1), one Cu(3), and one C(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(2), one Cu(4), and one C(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Cu(2), and one C(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cu(3), and one C(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cu(3) and one C(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one C(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Cu(1), one Cu(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(2), one Cu(3), and one C(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(2), one Cu(3), and one C(5) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Cu(3), one Cu(4), and one C(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one C(5) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(4), and one C(6) atom.