Materials Data on KSO6 by Materials Project

Abstract

KSO6 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two KSO6 sheets oriented in the (1, 0, 0) direction. K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.83–3.23 Å. S is bonded in a distorted tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.44–1.86 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one K atom. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent K and one S atom. In the third O site, O is bonded in a 1-coordinate geometry to one K, one S, and one O atom. The O–O bond length is 1.32 Å. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent K and one O atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to three equivalent K and one S atom.