K2Cu(ClF)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmce space group. K(1) is bonded in a 9-coordinate geometry to five equivalent Cl(1) and four equivalent F(1) atoms. Cu(1) is bonded to two equivalent Cl(1) and four equivalent F(1) atoms to form distorted corner-sharing CuCl2F4 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to five equivalent K(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing ClK5Cu octahedra. The corner-sharing octahedral tilt angles range from 0-18°. F(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and two equivalent Cu(1) atoms.
K2Cu(ClF)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmce space group. K(1) is bonded in a 9-coordinate geometry to five equivalent Cl(1) and four equivalent F(1) atoms. There are four shorter (3.21 Å) and one longer (3.29 Å) K(1)-Cl(1) bond length. All K(1)-F(1) bond lengths are 2.92 Å. Cu(1) is bonded to two equivalent Cl(1) and four equivalent F(1) atoms to form distorted corner-sharing CuCl2F4 octahedra. The corner-sharing octahedra are not tilted. Both Cu(1)-Cl(1) bond lengths are 2.33 Å. There are two shorter (1.92 Å) and two longer (2.56 Å) Cu(1)-F(1) bond lengths. Cl(1) is bonded to five equivalent K(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing ClK5Cu octahedra. The corner-sharing octahedral tilt angles range from 0-18°. F(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and two equivalent Cu(1) atoms.