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Crystal structure of copper(ii) citrate monohydrate solved from a mixture powder X-ray diffraction pattern

Published online by Cambridge University Press:  07 November 2013

Ana Palčić ,
Ivan Halasz  and
Josip Bronić
Ana Palčić
Affiliation:
Ruđer Bošković Institute, Bijenička 54, 10000 Zagreb, Croatia
Ivan Halasz*
Affiliation:
Ruđer Bošković Institute, Bijenička 54, 10000 Zagreb, Croatia
Josip Bronić
Affiliation:
Ruđer Bošković Institute, Bijenička 54, 10000 Zagreb, Croatia
*
a) Author to whom correspondence should be addressed. Electronic mail: ihalasz@irb.hr
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Abstract

The crystal structure of copper(ii) citrate monohydrate (C6H4O7Cu2·H2O) has been solved from a mixture powder diffraction pattern. Approach to indexing, structure solution and Rietveld refinement of multiphase diffraction patterns is discussed. Rietveld refinement is carried out employing free-atom refinement and rigid body refinement.

Keywords

powder diffractionstructure solutionX-ray diffractionmultiphase powder diffractionRietveld refinement

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Type
Technical Articles
Information
Powder Diffraction , Volume 29 , Issue 1 , March 2014 , pp. 28 - 32
Copyright
Copyright © International Centre for Diffraction Data 2013 

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