OXIDATION STATE AND COORDINATION OF FE IN MINERALS: AN FE K-XANES SPECTROSCOPIC STUDY
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dc.contributor.author | Wilke M. | |
dc.contributor.author | Farges F. | |
dc.contributor.author | Petit P.-E. | |
dc.contributor.author | Brown G.E. | |
dc.contributor.author | Martin F. | |
dc.date.accessioned | 2021-04-05T12:39:57Z | |
dc.date.available | 2021-04-05T12:39:57Z | |
dc.date.issued | 2001 | |
dc.identifier | https://www.elibrary.ru/item.asp?id=14127634 | |
dc.identifier.citation | American Mineralogist, 2001, 86, 5-6, 714-730 | |
dc.identifier.issn | 0003-004X | |
dc.identifier.uri | https://repository.geologyscience.ru/handle/123456789/27452 | |
dc.description.abstract | High-resolution Fe K-edge XANES spectra of a series of crystalline Fe2+- and Fe3+-bearing model compounds were measured in an effort to correlate characteristics of the pre-edge feature with oxidation state and local coordination environment of Fe atoms. The model compounds comprise 30 natural minerals and synthetic compounds, with Fe coordination environments ranging from 4 to 12 O atoms for Fe2+, including 5-coordinated trigonal bipyramidal Fe2+, and from 4 to 6 O atoms For Fe3+. Most pre-edge spectra show two components (due to crystal-field splitting) that are located just above the Fermi level. The most useful characteristics of the Fe-K pre-edge for determining Fe oxidation state and coordination number are the position of its centroid and its integrated intensity. The separation between the average pre-edge centroid positions for Fe2+ and Fe3+ is 1.4 +/- 0.1 eV. Thus, the position of the pre-edge feature can be used as a measure of the average Fe-redox state, with the average pre edge position for mixed Fe2+-Fe3+ compounds occurring between positions for Fe2+ and Fe3+. The lowest pre-edge normalized heights and integrated intensities are observed for the most centrosymmetric sites of Fe, in agreement with previous studies (see Waychunas et al. 1983). Examination of the pre-edge features of mechanical mixtures of phases containing different proportions of Fe2+ and Fe3+ suggests that the pre-edge position and intensity for these mixtures can vary quite non-linearly with the average redox state of Fe. However, distinctly different trends of pre-edge position vs, pre-edge intensity can be observed, depending on the coordination environment of Fe2+ and Fe3+, with an accuracy in redox determination of +/- 10 mol% provided that the site geometry for each redox state is known. These methods have been used to estimate the Fe3+/Fe2+ ratio in 12 minerals (magnetite, vesuvianite, franklinite, rhodonite, etc.) containing variable/unknown amounts of Fe2+/Fe3+. | |
dc.title | OXIDATION STATE AND COORDINATION OF FE IN MINERALS: AN FE K-XANES SPECTROSCOPIC STUDY | |
dc.type | Статья |
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