Materials Data on CsCoH18N6(ClO2)4 by Materials Project

Abstract

Cs(O2Cl)4Co(NH3)6 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three azane;cobalt molecules and three Cs(O2Cl)4 sheets oriented in the (0, 0, 1) direction. In each Cs(O2Cl)4 sheet, Cs1+ is bonded in a distorted body-centered cubic geometry to six equivalent O2- and two equivalent Cl1- atoms. All Cs–O bond lengths are 3.09 Å. Both Cs–Cl bond lengths are 3.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one Cl1- atom. The O–Cl bond length is 1.46 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cs1+ atom. In the second Cl1- site, Cl1- is bonded in a tetrahedral geometry to four O2- atoms.