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XRD peak migration and apparent shift of cell-edge lengths of nano-sized hematite, goethite and lepidocrocite

Published online by Cambridge University Press:  09 July 2018

H. Stanjek
H. Stanjek*
Affiliation:
Lehrstuhl für Bodenkunde, TU München, 85350 Freising, Germany
*
*E-mail: stanjek@iml.rwth-aachen.de
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Abstract

X-ray powder diffraction patterns were simulated for nano-sized hematite, goethite and lepidocrocite by three-dimensional integration in reciprocal space. The cell-edge lengths were refined together with the size parameters X and Xe of the Thompson-Cox-Hastings function, which for orthorhombic structures was extended by a biaxial broadening parameter Xo. Variations of the structure factors across broad peaks resulted in apparent peak shifts and concomitant shifts in celledge lengths, which were significantly correlated with the size parameters for hematite and partially correlated for goethite and lepidocrocite. Regression equations are given for correcting cell-edge lengths obtained from Rietveld fits for size-induced shifts.

Keywords

goethitehematitelepidocrociteXRDcell-edge lengthspeak shiftnano particles
Type
Research Article
Information
Clay Minerals , Volume 37 , Issue 4 , December 2002 , pp. 629 - 638
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2002

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