Materials Data on I2O5 by Materials Project

Abstract

I2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two I5+ atoms. There is one shorter (1.95 Å) and one longer (2.00 Å) O–I bond length. In the second O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.79 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.43 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two I5+ atoms. There are one shorter (1.80 Å) and one longer (2.56 Å) O–I bond lengths. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent I5+ atoms. There are one shorter (1.87 Å) and one longer (2.27 Å) O–I bond lengths. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded to five O2- atoms to form distorted corner-sharing IO5 square pyramids. In the second I5+ site, I5+ is bonded in a 5-coordinate geometry to four O2- atoms.