A pre-edge analysis of Mn K-edge XANES spectra to help determine the speciation of manganese in minerals and glasses |
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Authors: | E Chalmin F Farges Jr" target="_blank">G E BrownJr |
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Institution: | (1) European Synchrotron Radiation Facility, 38043 Grenoble, France;(2) Unité Minéralogie-Pétrologie, Muséum National d’Histoire Naturelle and CNRS UMR 7160, Paris, France;(3) Department of Geological and Environmental Sciences, Stanford University, Stanford, CA 94305-2115, USA;(4) Stanford Synchrotron Radiation Laboratory, SLAC, 2575 Sand Hill Road, MS 69, Menlo Park, CA 94025, USA |
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Abstract: | High-resolution manganese K-edge X-ray absorption near edge structure spectra were collected on a set of 40 Mn-bearing minerals.
The pre-edge feature information (position, area) was investigated to extract as much as possible quantitative valence and
symmetry information for manganese in various “test” and “unknown” minerals and glasses. The samples present a range of manganese
symmetry environments (tetrahedral, square planar, octahedral, and cubic) and valences (II to VII). The extraction of the
pre-edge information is based on a previous multiple scattering and multiplet calculations for model compounds. Using the
method described in this study, a robust estimation of the manganese valence could be obtained from the pre-edge region at
5% accuracy level. This method applied to 20 “test” compounds (such as hausmannite and rancieite) and to 15 “unknown” compounds
(such as axinite and birnessite) provides a quantitative estimate of the average valence of manganese in complex minerals
and silicate glasses.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. |
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Keywords: | Manganese Valence Symmetry Mineral Glass XANES pre-edge |
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