Materials Data on K2Cu(HCl2)2 by Materials Project

Abstract

K2Cu(HCl2)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.23 Å) and four longer (3.24 Å) K–Cl bond lengths. Cu2+ is bonded in an octahedral geometry to two equivalent H and four Cl1- atoms. Both Cu–H bond lengths are 1.54 Å. There are two shorter (2.26 Å) and two longer (2.47 Å) Cu–Cl bond lengths. H is bonded in a single-bond geometry to one Cu2+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Cu2+ atom. In the second Cl1- site, Cl1- is bonded to four equivalent K1+ and one Cu2+ atom to form a mixture of edge and corner-sharing ClK4Cu square pyramids.