Cs2CuBiF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, faces with four equivalent Cu(1)F6 octahedra, and faces with four equivalent Bi(1)F6 octahedra. Cu(1) is bonded to six equivalent F(1) atoms to form CuF6 octahedra that share corners with six equivalent Bi(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to six equivalent F(1) atoms to form BiF6 octahedra that share corners with six equivalent Cu(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to four equivalent Cs(1), one Cu(1), and one Bi(1) atom to form a mixture of distorted edge, corner, and face-sharing FCs4CuBi octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2CuBiF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, faces with four equivalent Cu(1)F6 octahedra, and faces with four equivalent Bi(1)F6 octahedra. All Cs(1)-F(1) bond lengths are 3.25 Å. Cu(1) is bonded to six equivalent F(1) atoms to form CuF6 octahedra that share corners with six equivalent Bi(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. All Cu(1)-F(1) bond lengths are 2.29 Å. Bi(1) is bonded to six equivalent F(1) atoms to form BiF6 octahedra that share corners with six equivalent Cu(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. All Bi(1)-F(1) bond lengths are 2.31 Å. F(1) is bonded to four equivalent Cs(1), one Cu(1), and one Bi(1) atom to form a mixture of distorted edge, corner, and face-sharing FCs4CuBi octahedra. The corner-sharing octahedral tilt angles range from 0-60°.