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X-ray and neutron total scattering analysis of Hy·(Bi0.2Ca0.55Sr0.25)(Ag0.25Na0.75)Nb3O10·xH2O perovskite nanosheet booklets with stacking disorder

Published online by Cambridge University Press:  23 May 2016

Peter Metz ,
Robert Koch ,
Bernadette Cladek ,
Katharine Page ,
Joerg Neuefeind  and
Scott Misture
Peter Metz
Affiliation:
Inamori School of Engineering, Alfred University, Alfred, New York 14802
Robert Koch
Affiliation:
Department of Civil, Environmental, and Mechanical Engineering, University of Trento, Via Mesiano, 77, Trento, TN 38123, Italy
Bernadette Cladek
Affiliation:
Inamori School of Engineering, Alfred University, Alfred, New York 14802
Katharine Page
Affiliation:
Neutron Science Directorate, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830
Joerg Neuefeind
Affiliation:
Neutron Science Directorate, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830
Scott Misture*
Affiliation:
Inamori School of Engineering, Alfred University, Alfred, New York 14802
*
Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

Ion-exchanged Aurivillius materials form perovskite nanosheet booklets wherein well-defined bi-periodic sheets, with ~11.5 Å thickness, exhibit extensive stacking disorder. The perovskite layer contents were defined initially using combined synchrotron X-ray and neutron Rietveld refinement of the parent Aurivillius structure. The structure of the subsequently ion-exchanged material, which is disordered in its stacking sequence, is analyzed using both pair distribution function (PDF) analysis and recursive method simulations of the scattered intensity. Combined X-ray and neutron PDF refinement of supercell stacking models demonstrates sensitivity of the PDF to both perpendicular and transverse stacking vector components. Further, hierarchical ensembles of stacking models weighted by a standard normal distribution are demonstrated to improve PDF fit over 1–25 Å. Recursive method simulations of the X-ray scattering profile demonstrate agreement between the real space stacking analysis and more conventional reciprocal space methods. The local structure of the perovskite sheet is demonstrated to relax only slightly from the Aurivillius structure after ion exchange.

Keywords

nanosheetpair distribution functionsoft chemistrystacking disorder
Type
Technical Articles
Information
Powder Diffraction , Volume 31 , Issue 2 , June 2016 , pp. 126 - 134
Copyright
Copyright © International Centre for Diffraction Data 2016 

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