Materials Data on Pu2IO10 by Materials Project

Abstract

Pu2O10I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two Pu2O10I sheets oriented in the (0, 1, 0) direction. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Pu–O bond distances ranging from 1.77–2.61 Å. In the second Pu site, Pu is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Pu–O bond distances ranging from 1.77–2.53 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Pu atom. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.78 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two Pu and one I atom. The O–I bond length is 1.90 Å. In the fourth O site, O is bonded in a 3-coordinate geometry to two Pu and one I atom. The O–I bond length is 1.92 Å. In the fifth O site, O is bonded in a single-bond geometry to one Pu atom. In the sixth O site, O is bonded in a single-bond geometry to one Pu atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to two Pu atoms. In the eighth O site, O is bonded in a distorted trigonal planar geometry to two Pu and one I atom. The O–I bond length is 2.37 Å. In the ninth O site, O is bonded in a single-bond geometry to one Pu atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to two Pu and one I atom. The O–I bond length is 2.48 Å. I is bonded in a 5-coordinate geometry to five O atoms.