Materials Data on TlSO3F by Materials Project

TlSO3F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 10-coordinate geometry to nine O2- and one F1- atom. There are a spread of Tl–O bond distances ranging from 3.08–3.36 Å. The Tl–F bond length is 3.35 Å. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.45 Å) and one longer (1.46 Å) S–O bond length. The S–F bond length is 1.64 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Tl1+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Tl1+ and one S6+ atom. F1- is bonded in a single-bond geometry to one Tl1+ and one S6+ atom.