KCuCO3F crystallizes in the orthorhombic Pmc2_1 space group. K(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and three equivalent F(1) atoms. Cu(1) is bonded to one O(1), one O(2), one O(3), and two equivalent F(1) atoms to form distorted corner-sharing CuO3F2 square pyramids. 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 single-bond geometry to two equivalent K(1), one Cu(1), and one C(1) atom. In the second O site, O(2) is bonded to two equivalent K(1), one Cu(1), and one C(1) atom to form distorted corner-sharing OK2CuC tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Cu(1), and one C(1) atom. F(1) is bonded in a 2-coordinate geometry to three equivalent K(1) and two equivalent Cu(1) atoms.
KCuCO3F crystallizes in the orthorhombic Pmc2_1 space group. K(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and three equivalent F(1) atoms. Both K(1)-O(1) bond lengths are 2.80 Å. Both K(1)-O(2) bond lengths are 2.78 Å. Both K(1)-O(3) bond lengths are 2.77 Å. There are a spread of K(1)-F(1) bond distances ranging from 2.85-3.19 Å. Cu(1) is bonded to one O(1), one O(2), one O(3), and two equivalent F(1) atoms to form distorted corner-sharing CuO3F2 square pyramids. The Cu(1)-O(1) bond length is 2.43 Å. The Cu(1)-O(2) bond length is 1.94 Å. The Cu(1)-O(3) bond length is 1.93 Å. Both Cu(1)-F(1) bond lengths are 2.03 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 1.27 Å. The C(1)-O(2) bond length is 1.31 Å. The C(1)-O(3) bond length is 1.30 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Cu(1), and one C(1) atom. In the second O site, O(2) is bonded to two equivalent K(1), one Cu(1), and one C(1) atom to form distorted corner-sharing OK2CuC tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Cu(1), and one C(1) atom. F(1) is bonded in a 2-coordinate geometry to three equivalent K(1) and two equivalent Cu(1) atoms.