LiCuCO3F crystallizes in the orthorhombic Pmc2_1 space group. Li(1) is bonded in a distorted single-bond geometry to two equivalent O(2), two equivalent O(3), and one F(1) atom. Cu(1) is bonded to one O(1), one O(2), one O(3), and two equivalent F(1) atoms to form corner-sharing CuO3F2 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three 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 to two equivalent Li(1), one Cu(1), and one C(1) atom to form distorted corner-sharing OLi2CuC tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one C(1) atom. F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Cu(1) atoms.
LiCuCO3F crystallizes in the orthorhombic Pmc2_1 space group. Li(1) is bonded in a distorted single-bond geometry to two equivalent O(2), two equivalent O(3), and one F(1) atom. Both Li(1)-O(2) bond lengths are 2.52 Å. Both Li(1)-O(3) bond lengths are 2.50 Å. The Li(1)-F(1) bond length is 1.86 Å. Cu(1) is bonded to one O(1), one O(2), one O(3), and two equivalent F(1) atoms to form corner-sharing CuO3F2 trigonal bipyramids. The Cu(1)-O(1) bond length is 1.97 Å. The Cu(1)-O(2) bond length is 1.98 Å. The Cu(1)-O(3) bond length is 2.13 Å. Both Cu(1)-F(1) bond lengths are 1.99 Å. 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 1.30 Å. The C(1)-O(2) bond length is 1.31 Å. The C(1)-O(3) bond length is 1.29 Å. There are three 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 to two equivalent Li(1), one Cu(1), and one C(1) atom to form distorted corner-sharing OLi2CuC tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one C(1) atom. F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Cu(1) atoms.