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Obtaining optimal structural data from X-ray powder diffraction using the Rietveld method

Published online by Cambridge University Press:  27 August 2014

Shanke Liu ,
He Li  and
Jianming Liu
Shanke Liu*
Affiliation:
Division of Solid Mineral Resources, Institute of Geology and Geophysics, Chinese Academy of Sciences, Beijing 100029, China
He Li
Affiliation:
State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, Beijing 100029, China
Jianming Liu
Affiliation:
Division of Solid Mineral Resources, Institute of Geology and Geophysics, Chinese Academy of Sciences, Beijing 100029, China
*
a)Author to whom correspondence should be addressed. Electronic mail: liushanke@mail.iggcas.ac.cn
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Abstract

Diffraction data of calcite were collected using a conventional Bragg–Brentano diffractometer, which is a convenient, low-cost, and highly popular in-house instrument, and its crystal structure was refined by the Rietveld method. This paper shows how one treats preferred orientation and how different refinement strategies affect the accuracy of the result.

Keywords

calcitecrystal structurerefinement strategypreferred orientation
Type
Crystallography Education
Information
Powder Diffraction , Volume 29 , Issue 4 , December 2014 , pp. 396 - 403
Copyright
Copyright © International Centre for Diffraction Data 2014 

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