Dear Angel, The broadening due to stacking faults is structure-dependent, so the expressions derived for HCP structures are applicable only to the specific faults in close-packed atomic arrays.A general model applicable to any structure is described in J Appl Cryst (2000) 338 and implemented in the DDM program http://sites.google.com/site/ddmsuiteSome examples are given in folder \EXAMPLES\Defects Best regards,Leonid ******************************************************* Leonid A. Solovyov Institute of Chemistry and Chemical Technology 660036, Akademgorodok 50/24, Krasnoyarsk, Russia http://sites.google.com/site/solovyovleonid ******************************************************* From: Angel Luis Ortiz Seco <alor...@unex.es> To: rietveld_l@ill.fr Sent: Thursday, October 2, 2014 4:42 PM Subject: question on stacking faults Dear colleages,
I would like to calculate the stacking fault probability in an O3 structure (a layered compound of the type ABO2 (A=alkali element, B=transition metal element, O=oxygen) crystallizing in the trigonal R-3m space group (hexagonal axes)) from the broadening of the XRD peaks. I have read the procedure described in Warren book for HCP structures, but I am not clear whether or not I can directly apply the expressions described there for my case. Could you please advice on this issue, and indicate proper references in case other expressions have to be used? Thanks a lot, Best regards Angel ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
