Materials Data on IO6 by Materials Project

Abstract

IO6 is alpha La structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four IO6 clusters. there are six 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 1.91 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.88 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.88 Å. In the fourth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.91 Å. In the fifth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.90 Å. In the sixth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.89 Å. I is bonded in an octahedral geometry to six O atoms.