Cs2InSbF6 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 In(1)F6 octahedra, and faces with four equivalent Sb(1)F6 octahedra. In(1) is bonded to six equivalent F(1) atoms to form InF6 octahedra that share corners with six equivalent Sb(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to six equivalent F(1) atoms to form SbF6 octahedra that share corners with six equivalent In(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 In(1), and one Sb(1) atom to form a mixture of distorted edge, corner, and face-sharing FCs4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2InSbF6 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 In(1)F6 octahedra, and faces with four equivalent Sb(1)F6 octahedra. All Cs(1)-F(1) bond lengths are 3.39 Å. In(1) is bonded to six equivalent F(1) atoms to form InF6 octahedra that share corners with six equivalent Sb(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. All In(1)-F(1) bond lengths are 2.60 Å. Sb(1) is bonded to six equivalent F(1) atoms to form SbF6 octahedra that share corners with six equivalent In(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. All Sb(1)-F(1) bond lengths are 2.19 Å. F(1) is bonded to four equivalent Cs(1), one In(1), and one Sb(1) atom to form a mixture of distorted edge, corner, and face-sharing FCs4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-60°.