X-ray-weighted and neutron-weighted total structure factors of liquid at room temperature.
X-ray-weighted and neutron-weighted total-pair distribution functions of liquid . H–F(I): H–F covalent bond; H–F(II): H…F hydrogen bond. X-ray data is displaced upward by 5 for clarity. Fourier transformations were performed with and for x-ray and neutron data, respectively.
Calculated x-ray-weighted and neutron-weighted total structure factors and associated weighted partial structure factors obtained from the RMC model for liquid . Dotted lines: experimental data; solid lines: RMC model, where denotes the x-ray-weighted or neutron-weighted factor (see Fig. S1). Successive curves are displaced upward for clarity. Dashed lines are guides to the eye.
Partial pair distribution functions of liquid derived from the RMC model.
Bond angle distributions of H–F–H and F–H–F in liquid derived from the RMC model.
A -thickness snapshot of the RMC model. Sticks represent H–F chains. Gray: H–F covalent bond; black: H…F hydrogen bond. Black spheres represent the cesium ion.
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