The lithium–water configuration encapsulated by uranyl peroxide cage cluster U24

Abstract

Li and H₂O encapsulated in the uranyl peroxide cage cluster U₂₄ at 110 K are in square pyramidal and octahedral coordination environments, as dictated by the symmetry and topology of U₂₄, in contrast to Li cations between the cages that are tetrahedrally coordinated by H₂O. The ordered distribution of Li found here deviates from earlier studies at higher temperatures that reported a dynamic distribution.