Dear Nadya, I would recommend the use of the program FAULTS to refine powder diffraction data of your birnessite-type layered manganese oxides containing stacking faults.
FAULTS is indeed a program developed for the refinement of diffraction data of materials with planar defects, and in particular layered materials having stacking faults. This program is included in the FullProf Suite (https://www.ill.eu/sites/fullprof/ ) and it is also available as a separate program at this webpage: http://www.cicenergigune.com/faults . We have recently published a paper describing the program FAULTS, including several examples of refinements: in particular a sample layered oxide Li2PtO3 which presents stacking faults and a sample of gamma-MnO2 which is an intergrowth of pyrolusite and ramsdellite structures. You can find this article here: http://scripts.iucr.org/cgi-bin/paper?kc5049 (Casas-Cabanas et al. J Appl. Cryst 216, 49, p2259-2269). If you need more information about FAULTS, or some support, do not hesitate to contact us at fau...@cicenergigune.com Best regards Marine Marine Reynaud Post-Doctoral Researcher Structure and Surface Analysis CIC Energigune Parque Tecnológico C/ Albert Einstein, 48 01510 Miñano (Álava) Spain Tel: +34 945 297 108 or +34 911 922 137 ext. 380 E-mail: mreyn...@cicenergigune.com www.cicenergigune.com -----Mensaje original----- De: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] En nombre de GREGORKIEWITZ MICHAEL Enviado el: martes, 17 de enero de 2017 16:50 Para: Nayda Patricia Arias Duque CC: rietveld_l@ill.fr Asunto: Re: Refinement of birnessite type layered manganese oxides dear Nayda, a bit late, but may be still useful for you: we worked on Rietveld refinement of a birnessite impurity considering various stacking types - without much success, but in our ms you can find references to different models, and a quite surprising result for our "birnessite" sample. Our article is free access and can be found in Acta Cryst B dec 2016 or on researchgate. Best Miguel --- michele gregorkiewitz Dip Scienze Fisiche, della Terra e dell'Ambiente Università di Siena via Laterina 8, I-53100 Siena gre...@unisi.it, +39'0577'233810 Il 2016-12-22 00:51 Nayda Patricia Arias Duque ha scritto: > Hello . > > I am trying to refine birnessite type layered manganese oxides and I > want to know how can I identify stacking faults on this type of > materials?. > > Thank you in advance for your information, > > Best Regards and Merry Christmas > > Nayda Patricia Arias Duque > PhD Candidate in Chemical Engineering > Nanostructured and Functional Materials Laboratory National University > of Colombia- Manizales Campus www.unal.edu.co [1] > > Links: > ------ > [1] http://www.unal.edu.co > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > Please do NOT attach files to the whole list > <alan.he...@neutronoptics.com> Send commands to <lists...@ill.fr> eg: > HELP as the subject with no body text The Rietveld_L list archive is > on http://www.mail-archive.com/rietveld_l@ill.fr/ > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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