“…As the most important component of nuclear fuel, uranium occurs in four different oxidation states (Vitova et al, 2010 as follows: U 3+ (U [III]), U 4+ (U[IV]), UO 2+ (U[V]) and UO 2 2+ (U[VI]/uranyl ion); it easily forms various molecular structures with different ligands, which directly determine macroscopic physical and chemical properties (Altmaier et al, 2013;Geckeis et al, 2013;Knope & Soderholm, 2013). Generally, the structural chemistry of the uranyl ion (UO 2 2+ ) is central to the reprocessing of nuclear waste, sequestration of uranium from seawater, and analysis of the effects of uranium on the environment and geosphere (Berto et al, 2012;Stoliker et al, 2013;Kim et al, 2013). The uranyl ion has axial transdioxo atoms in the apical position and equatorial coordination geometry bound to the surrounding ligands (e.g.…”