THE STRUCTURE OF ICE IH FROM ANALYSIS OF SINGLE-CRYSTAL NEUTRON DIFFUSE-SCATTERING

It has long been known that the single-crystal diffuse scattering from ice Ih contains a great deal of information about the hydrogen disord er and the local structure. A reverse Monte Carlo technique has been u sed to model such data from D2O ice, and to explore the information wh ich can be obtained about the structure of ice using it, most of which cannot be accessed using standard crystallographic techniques. As wel l as obtaining details of the average properties of the structure, the local disorder is obtained directly. While further developments are r equired for reverse Monte Carlo analysis of single-crystal diffuse sca ttering to produce highly accurate results, those presented here repre sent a leap forward in our analysis of the structure of ice from its d iffuse scattering alone.