Startseite Accurate predictions of iron redox state in silicate glasses: A multivariate approach using X-ray absorption spectroscopy
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Accurate predictions of iron redox state in silicate glasses: A multivariate approach using X-ray absorption spectroscopy

  • M. Darby Dyar EMAIL logo , Molly McCanta , Elly Breves , C.J. Carey und Antonio Lanzirotti
Veröffentlicht/Copyright: 4. März 2016
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American Mineralogist
Aus der Zeitschrift American Mineralogist Band 101 Heft 3

Abstract

Pre-edge features in the K absorption edge of X-ray absorption spectra are commonly used to predict Fe3+ valence state in silicate glasses. However, this study shows that using the entire spectral region from the pre-edge into the extended X-ray absorption fine-structure region provides more accurate results when combined with multivariate analysis techniques. The least absolute shrinkage and selection operator (lasso) regression technique yields %Fe3+ values that are accurate to ±3.6% absolute when the full spectral region is employed. This method can be used across a broad range of glass compositions, is easily automated, and is demonstrated to yield accurate results from different synchrotrons. It will enable future studies involving X-ray mapping of redox gradients on standard thin sections at 1 × 1 μm pixel sizes.

Keywords: XANES; EXAFS; silicate glass; lasso; PLS; multivariate analysis; redox state; ferric iron

Acknowledgments

We are grateful to Gordon Moore for the loan of the samples from his thesis and 1995 paper. We acknowledge funding from NSF grants EAR-1219761 and -1219850.

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  1. Manuscript handled by Ian Swainson.

Received: 2015-9-8
Accepted: 2015-11-17
Published Online: 2016-3-4
Published in Print: 2016-3-1

© 2016 by Walter de Gruyter Berlin/Boston

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https://doi.org/10.2138/am-2016-5555
Schlagwörter für diesen Artikel
XANES; EXAFS; silicate glass; lasso; PLS; multivariate analysis; redox state; ferric iron

Artikel in diesem Heft

  1. Editorial
  2. The most-cited journal in mineralogy and petrology (and what scientists can learn from baseball)
  3. Fluids in the Crust
  4. Fluids in the crust during regional metamorphism: Forty years in the Waterville limestone
  5. Research Article
  6. Remanent magnetization, magnetic coupling, and interface ionic configurations of intergrown rhombohedral and cubic Fe-Ti oxides: A short survey
  7. Research Article
  8. Are covalent bonds really directed?
  9. Dana Medal Paper
  10. Constraints on the early delivery and fractionation of Earth’s major volatiles from C/H, C/N, and C/S ratios
  11. Crossroads in Earth and Planetary Materials
  12. Octahedral chemistry of 2:1 clay minerals and hydroxyl band position in the near-infrared: Application to Mars
  13. Special Collection: Advances in Ultrahigh-Pressure Metamorphism
  14. Multi-stage barite crystallization in partially melted UHP eclogite from the Sulu belt, China
  15. Spinels Renaissance: The Past, Present, and Future of those Ubiquitous Minerals and Materials
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  17. Spinels Renaissance: The Past, Present, and Future of those Ubiquitous Minerals and Materials
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  19. Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
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  21. Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
  22. Compositional variation of apatite from rift-related alkaline igneous rocks of the Gardar Province, South Greenland
  23. Special Collection: Perspectives on Origins and Evolution of Crustal Magmas
  24. Dynamics and thermodynamics of magma mixing: Insights from a simple exploratory model
  25. Special Collection: From Magmas to Ore Deposits
  26. Geochemistry, petrologic evolution, and ore deposits of the Miocene Bodie Hills Volcanic Field, California and Nevada
  27. Research Article
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  29. Research Article
  30. Crystallographic orientation relationships in host–inclusion systems: New insights from large EBSD data sets
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