Materials Data on CsK(ClO4)2 by Materials Project

Abstract

CsK(O4Cl)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to fourteen O atoms. There are twelve shorter (3.42 Å) and two longer (3.71 Å) Cs–O bond lengths. K is bonded in a 6-coordinate geometry to six equivalent O atoms. All K–O bond lengths are 2.84 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Cs, one K, and one Cl atom. The O–Cl bond length is 1.47 Å. In the second O site, O is bonded in a single-bond geometry to one Cs and one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four O atoms.