Materials Data on K2I2O3 by Materials Project

Abstract

K2O3I2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.28 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.44 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three K1+ and two I2+ atoms. There are one shorter (2.08 Å) and one longer (2.23 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four K1+ and one I2+ atom. The O–I bond length is 1.88 Å. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three K1+ and two I2+ atoms. There are one shorter (1.96 Å) and one longer (2.58 Å) O–I bond lengths. There are two inequivalent I2+ sites. In the first I2+ site, I2+ is bonded in a bent 150 degrees geometry to two O2- atoms. In the second I2+ site, I2+ is bonded in a T-shaped geometry to three O2- atoms.