As the fate, transport and bioavailability of U(vi) in subsurface environments are strongly influenced by its adsorption structures on iron minerals such as hematite, we systematically studied the molecular-scale structures of U(vi) complexes formed at the interfaces of hematite and water with periodic density-functional theory (DFT) calculation, extended X-ray absorption fine structure (EXAFS) measurements, attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, and spherical aberration-corrected scanning transmission ...