Re: Methyl Ammonium Lead Iodide (MAPbI) Decomposition
Dr. Dr. Ali, Please try the ICSD or COD repository. https://icsd.fiz-karlsruhe.de/search/basic.xhtml http://www.crystallography.net/cod/ Best regards. *Lucas Bonan Gomes* Universidade Federal do Rio Grande do Sul (51) 3308.6933 / (51) 8296.6178 Em 06/11/2016 13:21, NAVD A. escreveu: *Dear Rietvelder,* I was just trying to do quantitative and qualitative rietveld refinement of Powder XRD patterns (employing TOPAS software) of various phases originated from the decomposition of CH3NH3PbI3 perovskite. Though recent work from */Yixin Ren et. al./*/*Cryst. Growth Des. 2016, 16, 2945−2951*/ from Univ. Texas at Dallas was quiet excellent, but still I need assistance in finding the exact following .cif files of following "Bold" phases. The literature propose that "*CH3NH3PbI3" *perovskite decomposes first into *"**CH3NH3I*"** solution and *"**PbI2*"** in the presence of H2O. The *"**CH3NH3I*"** then decomposed into *"**CH3NH2*"** and HI later react with O2 or decompose under illumination into *H2* and *I2*. Does any body know any link to the said .cif--repository. Unfortunately currently, I don't have access to crystallographic databases. If any-Rietvelder is also in this business, please reply. Best Regards, *Dr. Naveed Zafar Ali* * * ++ Please do NOT attach files to the whole list Send commands to 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 Send commands to 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/ ++
Slits from an old Siemens
Dear X-ray diffraction colleagues, I'm a Philips / Panalytical user from a long time and now our group is trying to put an old (1989) Siemens D5000 theta/2theta diffractometer to work again. I'm used to work with slits in degrees but the D5000 works with slits in mm. Are anyone familiar with the conversion of the slits from mm to degrees? Thank you very much. Regards. -- MEng. Lucas Bonan Gomes Universidade Federal do Rio Grande do Sul ++ Please do NOT attach files to the whole list Send commands to 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/ ++
MAUD users
Dear MAUD users, I would like to know where can I find the U, V, W parameters to refine on MAUD software. Thank you very much. -- *Lucas Bonan Gomes* Universidade Federal do Rio Grande do Sul (51) 3308.6933 / (51) 8296.6178 ++ Please do NOT attach files to the whole list Send commands to 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/ ++
Re: Le bail and rietveld method
Dear Jin, Tell us about the parameters used in the analysis, such as step size. Lucas Bonan Gomes. Em 14/06/2016 13:32, Peng, Jin escreveu: Dear Collegues: I am recently working on the structure refinement of some inorganic single crystals. I got the structure parameters from two ways: 1.Single crystal x-ray refinement; 2.Low temperature x-ray diffraction on Powdered single crystals. I refined the powder x-ray diffraction pattern with both rietveld method and Le bail method. However, the Le bail refinement result is consistent with single crystal x-ray while the rietveld show divergence. Both a, b, c are remarkably high than other two method. For example, c is 19.573 for single crystal xrd and 19.576 for le bail method. While for rietveld, it is 19.62. The powder x-ray pattern are taken from cuprate sample holder. I noticed that its peak position is around 0.15 degree lower (2theta) than the spectrum taken at glass sample holder. Jin ++ Please do NOT attach files to the whole list Send commands to 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 Send commands to 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/ ++
