Cs2TlInF6 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 Tl(1)F6 octahedra, and faces with four equivalent In(1)F6 octahedra. Tl(1) is bonded to six equivalent F(1) atoms to form TlF6 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. In(1) is bonded to six equivalent F(1) atoms to form InF6 octahedra that share corners with six equivalent Tl(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 single-bond geometry to four equivalent Cs(1), one Tl(1), and one In(1) atom.
Cs2TlInF6 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 Tl(1)F6 octahedra, and faces with four equivalent In(1)F6 octahedra. All Cs(1)-F(1) bond lengths are 3.42 Å. Tl(1) is bonded to six equivalent F(1) atoms to form TlF6 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 Tl(1)-F(1) bond lengths are 2.70 Å. In(1) is bonded to six equivalent F(1) atoms to form InF6 octahedra that share corners with six equivalent Tl(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 2.12 Å. F(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1), one Tl(1), and one In(1) atom.