Materials Data on KSO2F by Materials Project

Abstract

KSO2F crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to six O2- and three equivalent F1- atoms. There are a spread of K–O bond distances ranging from 2.89–3.25 Å. There are a spread of K–F bond distances ranging from 2.84–3.00 Å. S4+ is bonded in a trigonal non-coplanar geometry to two O2- and one F1- atom. There is one shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. The S–F bond length is 1.83 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 S4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. F1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one S4+ atom.