Chemical Bonding in Cesium Uranyl Chloride Based on the Experimental Electron Density Distribution

Details of the electron density distribution in Cs2UO2Cl4 have been obtained from an accurate X-ray diffraction experiment at 20 K. The electron density was described with the Hansen–Coppens multipole model. Topological analysis of the electron density confirms that the U–O bond is probably a triple bond, the U–Cl bonds are incipient covalent interactions, and the Cs–Cl and Cs–O interactions are of the closed-shell type. The results obtained serve as a proof of principle that electron density features related to chemical bonding may be obtained from X-ray data for even the heaviest elements.