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2007 Denver X-Ray Conference -Rietveld Applications I
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2007 Denver X-Ray Conference The following workshop presentations are solely intended for viewing by workshop participants of the 2007 Denver X-ray Conference. They are presented through the generous contributions of the workshop instructors, authors, and their employers. Permission has been granted to the ICDD to post this information with the understanding that these notes would be distributed free of charge to workshop participants to enhance education in X-ray analysis. No part of these presentations may be distributed, reproduced, or transmitted in any form without permission in writing from the ICDD and their authors. The information contained herein may be copyrighted by the author or ICDD. Rietveld Applications I Organizer & Instructors: J.A. Kaduk, INEOS Technologies, Naperville, IL, james.kaduk@innovene.com J. Faber, International Centre for Diffraction Data, Newtown Square, PA, faber@icdd.com The Rietveld method is an essential tool for the X-ray analyst, but (because it requires knowledge to use successfully) can be intimidating. While we cannot make you an expert in one day, this workshop will help you to use the Rietveld method effectively for both structural characterization and quantitative phase analysis. The focus will be on recovering the information content of a powder pattern, optimizing the modeling of the structural and nonstructural contributions to the data, and interpreting and understanding the results. Instrument and specimen contributions to the pattern, as well as data collection strategies to optimize the structural information content, will be discussed. Both graphical and statistical measures of the quality of the results will be explained. Major emphasis will be placed on obtaining accurate and precise quantitative analyses, and on techniques for successful refinement of structures. Although the Rietveld method is a refinement technique, there will be some discussion of obtaining the structural models (solving structures). |
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