Materials Data on UCl2O5 by Materials Project

Abstract

UO5Cl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four UO5 clusters and four Cl2 ribbons oriented in the (1, 0, 0) direction. In each UO5 cluster, U is bonded in a trigonal bipyramidal geometry to five O atoms. There is three shorter (1.82 Å) and two longer (1.84 Å) U–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In each Cl2 ribbon, Cl is bonded in a linear geometry to two equivalent Cl atoms. Both Cl–Cl bond lengths are 2.43 Å.