I would like to thank you both. It is a small mismatch (about 0.25 A). Due to the structure of the compound and its porosity it really makes sense that the exchange of the guest inside the cavity can affect the lattice. Regards
----- Mensaje original ----- De: "Peter Stephens" <peter.steph...@stonybrook.edu> Para: "Breogan Pato Doldan" <breogan.p...@udc.es>, "rietveld_l@ill.fr" <Rietveld_L@ill.fr> Enviados: Miércoles, 5 de Febrero 2014 11:55:59 Asunto: Re: Preferred orientation and lattice parameters How much mismatch? If you're getting a good profile fit, I'd be inclined to doubt that it is a consequence of preferred orientation. You could mix your sample with another material (corundum powder, cork) to try to reduce the degree of preferred orientation, and see if that makes a difference. Instead of a Le Bail fit, you could try a full Rietveld to see if the powder really is the same phase as the single crystal. One could also imagine that a powder would be more facile in exchanging solvent with the environment, which could affect lattice parameters. On Wed, Feb 5, 2014 at 1:37 PM, Breogan Pato Doldan < breogan.p...@udc.es > wrote: Dear rietvelders, I have carried out the single crystal resolution and the PXRD Le Bail refinement of a Metal Organic Framework. The compound crystalizes as needles and there is a clear in-plane preferred orientation along the c-axis. There is a mismatch between the single crystal and the Le Bail refinement data in the lattice parameter c. Could this mismatch be due to the preferred orientations? Regards, Breogán Pato Doldán, Fundamental Chemistry Department. Faculty of Sciences. University of A Coruña Rúa da Fraga 10, 15008, A Coruña. Spain. Tel: +34 981167000 ext. 2061 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ -- ************************** Peter W. Stephens Professor, Department of Physics and Astronomy Associate Dean for Curriculum, College of Arts and Sciences Stony Brook University (631) 632-8156 http://mini.physics.sunysb.edu/~pstephens Please update your records to my new email: peter.steph...@stonybrook.edu
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
