Materials Data on Tl2SnF6 by Materials Project
Tl2SnF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form distorted TlF12 cuboctahedra that share corners with six equivalent TlF12 cuboctahedra, corners with three equivalent SnF6 octahedra, faces with eight equivalent TlF12 cuboctahedra, and faces with three equivalent SnF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are a spread of Tl–F bond distances ranging from 2.98–3.27 Å. Sn4+ is bonded to six equivalent F1- atoms to form SnF6 octahedra that share corners with six equivalent TlF12 cuboctahedra and faces with six equivalent TlF12 cuboctahedra. All Sn–F bond lengths are 2.01 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Tl1+ and one Sn4+ atom.