K4MgCu3F12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. K(1) is bonded to six equivalent F(1) and six equivalent F(2) 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 two equivalent Mg(1)F6 octahedra, and faces with six equivalent Cu(1)F6 octahedra. Mg(1) is bonded to six equivalent F(2) atoms to form MgF6 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. Cu(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form CuF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent Cu(1)F6 octahedra, and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and face-sharing FK4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1), one Mg(1), and one Cu(1) atom.
K4MgCu3F12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. K(1) is bonded to six equivalent F(1) and six equivalent F(2) 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 two equivalent Mg(1)F6 octahedra, and faces with six equivalent Cu(1)F6 octahedra. All K(1)-F(1) bond lengths are 2.83 Å. All K(1)-F(2) bond lengths are 2.83 Å. Mg(1) is bonded to six equivalent F(2) atoms to form MgF6 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 Mg(1)-F(2) bond lengths are 1.99 Å. Cu(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form CuF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent Cu(1)F6 octahedra, and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Cu(1)-F(2) bond lengths are 2.01 Å. All Cu(1)-F(1) bond lengths are 2.00 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and face-sharing FK4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1), one Mg(1), and one Cu(1) atom.