Materials Data on K2ZnCl4 by Materials Project

Abstract

K2ZnCl4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.15–3.41 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to ten Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.08–3.90 Å. Zn2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Zn–Cl bond distances ranging from 2.26–2.30 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five K1+ and one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to five K1+ and one Zn2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two K1+ and one Zn2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five K1+ and one Zn2+ atom.