Materials Data on KICl4 by Materials Project

Abstract

KICl4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven Cl atoms. There are a spread of K–Cl bond distances ranging from 3.13–3.66 Å. I is bonded in a rectangular see-saw-like geometry to four Cl atoms. There are a spread of I–Cl bond distances ranging from 2.48–2.64 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to one K and one I atom. In the second Cl site, Cl is bonded in a distorted T-shaped geometry to two equivalent K and one I atom. In the third Cl site, Cl is bonded in a water-like geometry to one K and one I atom. In the fourth Cl site, Cl is bonded to three equivalent K and one I atom to form a mixture of corner and edge-sharing ClK3I trigonal pyramids.