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XANES calibrations for the oxidation state of iron in a silicate glass

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dc.contributor.author Jayasuriya, K.D. en_US
dc.contributor.author Berry, A.J. en_US
dc.contributor.author O?Neill, H.S.C. en_US
dc.contributor.author Campbell, S.J. en_US
dc.contributor.author Foran, G.J. en_US
dc.date.accessioned 2014-11-19T04:45:57Z
dc.date.available 2014-11-19T04:45:57Z
dc.date.issued 2003
dc.identifier.issn 0003-004X en_US
dc.identifier.uri http://repository.kln.ac.lk/handle/123456789/4096
dc.description.abstract Fe K-edge X-ray absorption near edge structure (XANES) spectra were recorded for a series of anorthite-diopside eutectic glasses containing 1 wt% 57Fe2O3 quenched from melts equilibrated over a range of oxygen fugacities at 1409 �C. The Fe3+/?Fe ratios were determined previously by 57Fe M�ssbauer spectroscopy and vary between 0 (fully reduced) and 1 (fully oxidized). Using the M�ssbauer results as a reference, various methods for extracting Fe3+/?Fe ratios from XANES spectra were investigated. The energy of the 1s ? 3d pre-edge transition centroid was found to correlate linearly with the oxidation state. Correlations also exist with the energy of the K absorption edge and the area of peaks in the derivative spectrum associated with the 1s ? 4s and crest (1s ? 4p) transitions. The Fe3+/? Fe ratios determined from linear combinations of end-member spectra (Fe3+/? Fe ~0 and ~1) were found to deviate significantly from the M�ssbauer values. This may indicate the susceptibility of this method either to errors arising from the treatment of the background or to changes in Fe2+ or Fe3+ coordination with the Fe3+/? Fe ratio. The general applicability of any XANES calibration for determining oxidation states is limited by variations in the Fe coordination environment, which affects both the intensity and energy of spectral features. Thus previous calibrations based on mineral spectra are not applicable to silicate glasses. Nevertheless, systematic trends in spectral features suggest that Fe3+/? Fe values may be obtained from XANES spectra, with an accuracy comparable to M�ssbauer spectroscopy, by reference to empirical calibration curves derived from compositionally similar standards. en_US
dc.publisher American Mineralogist en_US
dc.title XANES calibrations for the oxidation state of iron in a silicate glass
dc.type article en_US
dc.identifier.department Physics en_US


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