Cs2KMoF6 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 K(1)F6 octahedra, and faces with four equivalent Mo(1)F6 octahedra. K(1) is bonded to six equivalent F(1) atoms to form KF6 octahedra that share corners with six equivalent Mo(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to six equivalent F(1) atoms to form MoF6 octahedra that share corners with six equivalent K(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one K(1), and one Mo(1) atom.
Cs2KMoF6 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 K(1)F6 octahedra, and faces with four equivalent Mo(1)F6 octahedra. All Cs(1)-F(1) bond lengths are 3.34 Å. K(1) is bonded to six equivalent F(1) atoms to form KF6 octahedra that share corners with six equivalent Mo(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. All K(1)-F(1) bond lengths are 2.60 Å. Mo(1) is bonded to six equivalent F(1) atoms to form MoF6 octahedra that share corners with six equivalent K(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. All Mo(1)-F(1) bond lengths are 2.11 Å. F(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one K(1), and one Mo(1) atom.