Materials Data on KSO6 by Materials Project

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.

KSO₆属单斜晶系，空间群为C2/c。其结构为二维构型，包含两张沿(1, 0, 0)方向排布的KSO₆片层。钾（K）采取10配位几何构型，与10个氧（O）原子成键，K–O键长分布范围为2.83~3.23 Å。硫（S）采取畸变四面体几何构型，与4个氧原子成键，S–O键长分布范围为1.44~1.86 Å。体系中存在6种不等价氧位点：
在第一种氧位点中，氧原子以单键构型仅与1个钾原子成键；
在第二种氧位点中，氧原子采取畸变单键构型，与3个等价钾原子及1个硫原子成键；
在第三种氧位点中，氧原子为1配位构型，与1个钾原子、1个硫原子及1个氧原子成键，O–O键长为1.32 Å；
在第四种氧位点中，氧原子为2配位构型，与2个等价钾原子及1个氧原子成键；
在第五种氧位点中，氧原子以单键构型仅与1个硫原子成键；
在第六种氧位点中，氧原子采取畸变单键构型，与3个等价钾原子及1个硫原子成键。