Materials Data on KZnCl3O by Materials Project

Abstract

KZnOCl3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to one O and seven Cl atoms. The K–O bond length is 3.35 Å. There are a spread of K–Cl bond distances ranging from 3.13–3.37 Å. Zn is bonded in a tetrahedral geometry to one O and three Cl atoms. The Zn–O bond length is 1.98 Å. There are a spread of Zn–Cl bond distances ranging from 2.25–2.33 Å. O is bonded in a single-bond geometry to one K and one Zn atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to three equivalent K and one Zn atom. In the second Cl site, Cl is bonded in a 1-coordinate geometry to two equivalent K and one Zn atom. In the third Cl site, Cl is bonded in a 1-coordinate geometry to two equivalent K and one Zn atom.