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The past decade or so has witnessed a large number of articles about water structure. The most incisive experiments involve radiation with a wavelength compatible with the observed inter-molecular separations found in water, of order ~3 Å, in other words mostly <1 eV neutrons and >10 KeV X-rays. Because X-rays are scattered by electrons while neutrons are scattered by nuclei, the two probes give complementary information, which, when combined with the pronounced isotopic contrast available between deuterons and protons, enables experiments to be devised that allow the three site-site radial distribution functions for water, namely O-O, O-H and H-H, to be determined uniquely. In practice systematic effects in both neutron and X-ray experiments prevent this ideal being attained, so recourse is made to computer simulation to extract these distribution functions from the data. Here a flavour of Monte Carlo simulation called Empirical Potential Structure Refinement (EPSR for short) is used to devise an empirical intermolecular potential which attempts to drive the simulated radial distribution functions as close as possible to the data. New X-ray and neutron scattering data on water in the temperature range 280–365 K are presented for the first time, alongside a new analysis of some much older neutron data on ice Ih at 220 K. This temperature analysis, above and below the water freezing point of water, reveals some non-intuitive water properties in the liquid and solid states.
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