Materials Data on KSO3F by Materials Project
KSO3F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to seven O2- and three equivalent F1- atoms. There are a spread of K–O bond distances ranging from 2.86–3.10 Å. There are one shorter (3.00 Å) and two longer (3.31 Å) K–F bond lengths. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.44 Å) and two longer (1.45 Å) S–O bond length. The S–F bond length is 1.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S6+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom.