The Fourier-transform analysis of TiK-XANES in metamicts and glasses

Abstract : The structural parameters of Ti coordination environment in glassy titanite (CaTiSiO5), natisite (Na2TiSiO5) and radiation damaged CaTiSiO5 are determined by the method proposed earlier, based on the Fourier-transform analysis of Ti K-XANES over the short k-range of photoelectrons wave numbers. The accuracy of the determined parameters is tested for the model crystals CaTiSiO5, Na2TiSiO5. The modelling of the extracted contribution into Ti-XANES, arising from the oxygen-polyhedron around the ionised Ti atom in amorphous titanites and natisite, performed via the single-shell fit and the two-shells fit, returns not only the averaged structural parameters, but also reveals the main groups of the Ti-O distances for this polyhedron.
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L. Bugaev, F. Farges, E. Rusakova, A. Sokolenko, Ya Latokha, et al.. The Fourier-transform analysis of TiK-XANES in metamicts and glasses. Physica Scripta, IOP Publishing, 2005, T115 (?), pp.168--171. ⟨hal-00693869⟩

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