The pure precipitated unknown compound obtained as the result of bacterial cellular mechanism was subjected to XRD study, result's is indicating the crystalline nature. here we are intrested to known its chemical composition.
1. Is it possible to known?
2. Is there is any software, which is user friendly for analysis....?
3. what are other techiques we can approch for ?
Thank you
To identify a crystalline phase by XRD you need to look at the 2-theta angle and relative intensity of the reflections and then use a database to find the matching phase. You can find a free database from the University of Arizona at this web site: http://rruff.geo.arizona.edu/AMS/amcsd.php
It helps to have chemical information in addition to XRD, you can do XRF or EDS to find out the chemical coposition.
If you attach the XRD pattern to your question you can get more help.
I would also recommend the other databases:
0. PDF2 (commercial) -this is probably the easiest wayof identification of unknown diffraction peaks.
http://www.icdd.com/products/pdf2.htm
1. CSD (commercial) -organic compounds
http://www.ccdc.cam.ac.uk/Solutions/CSDSystem/Pages/CSD.aspx
2. ICSD (commercial) -inorganic compounds
https://icsd.fiz-karlsruhe.de/search/basic.xhtml
3. COD (free)
http://www.crystallography.net/
Mercury serves very well for generation of diffraction patterns (even as a free software):
https://www.ccdc.cam.ac.uk/Solutions/CSDSystem/Pages/Mercury.aspx
CrystalSleuth is a good free program for displaying diffraction patterns:
http://rruff.info/about/about_download.php
You can also try crystallization of the obtained precipitate to get monocrystals suitable for diffraction. If you got a new structure monocrystal diffraction would make structure solution much easier.
Good luck!
you can take FTIR spectra for the samples there we can identify the functional groups...
also u can try ATOMIC ABSORPTION SPECTRA..
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