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Journal of Structural Chemistry

, Volume 51, Issue 2, pp 274–280 | Cite as

Construction of the model radial distribution curves with regard to the features of X-ray diffraction experiment

  • V. P. Pakharukova
  • É. M. Moroz
  • D. A. Zyuzin
Article

Abstract

A method to construct model radial distribution functions (RDFs) from the already known structural data is described. The method includes the procedures to calculate termination ripples that always appear on the experimental RDF because of the bounds of the integration limits in the Fourier transformation of the X-ray scattering curve. The introduction of this procedure increases the accuracy of the comparative RDF method used to elucidate the phase composition of nanodispersed materials and to determine the features of the local structure of the phases as compared to their well crystallized analogues. Cerium dioxide samples with different dispersion exemplify the applicability of this method to determine the features of the local structure.

Keywords

radial distribution of the electron density highly dispersed materials local structure cerium dioxide 

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Copyright information

© Pleiades Publishing, Ltd. 2010

Authors and Affiliations

  • V. P. Pakharukova
    • 1
  • É. M. Moroz
    • 1
  • D. A. Zyuzin
    • 1
  1. 1.G. K. Boreskov Institute of Catalysis, Siberian DivisionRussian Academy of SciencesNovosibirskRussia

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