LiCuCO3 crystallizes in the hexagonal P-6 space group. Li(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share corners with six equivalent Cu(1)O4 tetrahedra and edges with two equivalent Li(1)O5 trigonal bipyramids. Cu(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra and corners with six equivalent Li(1)O5 trigonal bipyramids. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the third C site, C(3) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cu(1), and one C(2) atom to form distorted corner-sharing OLi2CuC tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cu(1), and one C(3) atom.
LiCuCO3 crystallizes in the hexagonal P-6 space group. Li(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share corners with six equivalent Cu(1)O4 tetrahedra and edges with two equivalent Li(1)O5 trigonal bipyramids. The Li(1)-O(2) bond length is 2.02 Å. Both Li(1)-O(1) bond lengths are 2.13 Å. Both Li(1)-O(3) bond lengths are 2.14 Å. Cu(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra and corners with six equivalent Li(1)O5 trigonal bipyramids. The Cu(1)-O(1) bond length is 2.03 Å. The Cu(1)-O(3) bond length is 2.04 Å. Both Cu(1)-O(2) bond lengths are 2.21 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. All C(1)-O(2) bond lengths are 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All C(2)-O(1) bond lengths are 1.30 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. All C(3)-O(3) bond lengths are 1.30 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cu(1), and one C(2) atom to form distorted corner-sharing OLi2CuC tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cu(1), and one C(3) atom.