![]() A proton diffusion mechanism is proposed relying on percolation pathways determined by bond-valence energy landscape analysis. Some protons belong to heavily delocalized H 3O + subunits, while some H + are directly bonded to the oxygen atoms of the covalent framework of the pyrochlore structure, with O–H distances close to 1 Å. The synergic results of solid-state magic-angle spinning nuclear magnetic resonance spectroscopy and a combined Rietveld refinement from synchrotron X-ray and neutron powder diffraction data reveal that this compound contains two types of protons, in a pyrochlore-type structure of stoichiometric formula (H 3O) 1.20(7)H 0.77(9)Sb 2O 6. The elusive crystal structure of the so-called ‘antimonic acid’ has been investigated by means of robust and state-of-the-art techniques.
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