Materials Data on K(IO3)2 by Materials Project

Abstract

K(O3I)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.70–3.17 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.87–3.07 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.81 Å. In the second O site, O is bonded in a 1-coordinate geometry to one K and two I atoms. There are one shorter (1.88 Å) and one longer (2.38 Å) O–I bond lengths. In the third O site, O is bonded in a 1-coordinate geometry to one K and one I atom. The O–I bond length is 1.83 Å. In the fourth O site, O is bonded in a 4-coordinate geometry to two equivalent K and two I atoms. There are one shorter (1.85 Å) and one longer (2.61 Å) O–I bond lengths. In the fifth O site, O is bonded in a 4-coordinate geometry to two K and two I atoms. There are one shorter (1.84 Å) and one longer (2.68 Å) O–I bond lengths. In the sixth O site, O is bonded in a 1-coordinate geometry to two equivalent K and one I atom. The O–I bond length is 1.83 Å. In the seventh O site, O is bonded in a distorted single-bond geometry to one K and one I atom. The O–I bond length is 1.91 Å. In the eighth O site, O is bonded in a 1-coordinate geometry to one K and one I atom. The O–I bond length is 1.89 Å. In the ninth O site, O is bonded in a 4-coordinate geometry to two K and two I atoms. There are one shorter (1.85 Å) and one longer (2.63 Å) O–I bond lengths. There are three inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three O atoms. In the second I site, I is bonded in a 6-coordinate geometry to five O atoms. In the third I site, I is bonded in a 3-coordinate geometry to five O atoms.