Materials Data on U2ClO9 by Materials Project

Abstract

U2O9Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two U2O9Cl clusters. there are two inequivalent U sites. In the first U site, U is bonded in a 3-coordinate geometry to six O and one Cl atom. There are a spread of U–O bond distances ranging from 1.83–2.33 Å. The U–Cl bond length is 2.85 Å. In the second U site, U is bonded in a 6-coordinate geometry to six O and one Cl atom. There are a spread of U–O bond distances ranging from 1.84–2.29 Å. The U–Cl bond length is 2.93 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two U atoms. 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 the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a single-bond geometry to one U atom. In the eighth O site, O is bonded in a single-bond geometry to one U atom. In the ninth O site, O is bonded in a trigonal planar geometry to three U atoms. Cl is bonded in an L-shaped geometry to two U atoms.