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*

*
*



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