K2CuAsF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Cu(1)F6 octahedra, and faces with four equivalent As(1)F6 octahedra. Cu(1) is bonded to six equivalent F(1) atoms to form CuF6 octahedra that share corners with six equivalent As(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. As(1) is bonded to six equivalent F(1) atoms to form AsF6 octahedra that share corners with six equivalent Cu(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to four equivalent K(1), one Cu(1), and one As(1) atom to form a mixture of distorted edge, face, and corner-sharing FK4CuAs octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
K2CuAsF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Cu(1)F6 octahedra, and faces with four equivalent As(1)F6 octahedra. All K(1)-F(1) bond lengths are 3.03 Å. Cu(1) is bonded to six equivalent F(1) atoms to form CuF6 octahedra that share corners with six equivalent As(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. All Cu(1)-F(1) bond lengths are 2.20 Å. As(1) is bonded to six equivalent F(1) atoms to form AsF6 octahedra that share corners with six equivalent Cu(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. All As(1)-F(1) bond lengths are 2.09 Å. F(1) is bonded to four equivalent K(1), one Cu(1), and one As(1) atom to form a mixture of distorted edge, face, and corner-sharing FK4CuAs octahedra. The corner-sharing octahedral tilt angles range from 0-60°.