LiCuCO3 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(2), one O(6), two equivalent O(1), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(1), 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 distorted T-shaped geometry to one O(2), one O(4), and one O(5) atom. In the second Cu site, Cu(2) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. 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 3-coordinate geometry to one Li(2), two equivalent Li(1), and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1), one Cu(1), and one C(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Cu(2), and one C(1) atom to form distorted corner-sharing OLi2CuC tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(2), and one C(2) atom.
LiCuCO3 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(2), one O(6), two equivalent O(1), and two equivalent O(3) atoms. The Li(1)-O(2) bond length is 2.46 Å. The Li(1)-O(6) bond length is 2.53 Å. There is one shorter (2.08 Å) and one longer (2.55 Å) Li(1)-O(1) bond length. There is one shorter (2.07 Å) and one longer (2.31 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(1), one O(4), and one O(6) atom. The Li(2)-O(1) bond length is 1.86 Å. The Li(2)-O(4) bond length is 1.85 Å. The Li(2)-O(6) bond length is 1.86 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted T-shaped geometry to one O(2), one O(4), and one O(5) atom. The Cu(1)-O(2) bond length is 1.91 Å. The Cu(1)-O(4) bond length is 1.90 Å. The Cu(1)-O(5) bond length is 2.33 Å. In the second Cu site, Cu(2) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. The Cu(2)-O(3) bond length is 1.94 Å. The Cu(2)-O(5) bond length is 1.91 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 1.31 Å. The C(1)-O(3) bond length is 1.32 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 1.32 Å. The C(2)-O(5) bond length is 1.32 Å. The C(2)-O(6) bond length is 1.27 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), two equivalent Li(1), and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1), one Cu(1), and one C(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Cu(2), and one C(1) atom to form distorted corner-sharing OLi2CuC tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Cu(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(2), and one C(2) atom.