Journal of Structural Chemistry

, Volume 59, Issue 6, pp 1362–1367 | Cite as

Influence of Local Atomic and Electronic Structures of Magnetite on Subtle Effects in HERFD-XANES Spectra

  • Yu. S. Podkovyrina
  • M. A. Kremennaya
  • M. A. Soldatov
  • A. V. Soldatov


Large iron oxide nanoparticles are studied by high-energy resolution fluorescence-detected X-ray absorption spectroscopy (HERFD XANES). A theoretical procedure within the finite-difference method framework is tested to calculate Fe K-edge X-ray absorption spectra for the magnetite structure. The influence of structural and non-structural calculation parameters on the subtle effects in the X-ray absorption spectra are considered. Tetrahedral positions of Fe3+ ions are shown to provide the main contribution to the spectral feature at 20–21 eV whose intensity grows together with the content of these ions.


magnetite local atomic and electronic structure X-ray absorption spectroscopy HERFDXANES spectroscopy 


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Copyright information

© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  • Yu. S. Podkovyrina
    • 1
  • M. A. Kremennaya
    • 1
  • M. A. Soldatov
    • 1
  • A. V. Soldatov
    • 1
  1. 1.The Smart Materials Research CenterSouthern Federal UniversityRostov-on-DonRussia

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