Please guide me in solving the structure and preparing a CIF file out of the results, I have only powder xrd data which I have attached here. I already have EXPO2014 and fox. Both these software need data in raw format which I do not have.
Thanks
Mr. Kumar,
The structural solution is, namely, the intellectual contribution and property to the research work. (The data-collection is technical work.) So that, you should address to crystallographer explicitly, in order to obtain reliable structural solution. You should bear in mind as well as that this is connected with collaboration. So that, there sould be scientific interest in the collaboration, as well.
Bojidarka B. Ivanova I tried reaching several but still awaiting response from them. I can definitely collaborate if someone helps me. I am learning to solve the structure and want to apply this to solve the structure of multicomponent compounds like cocrystals.
By calculating the structure factor you can reveal the crystal structure
Elif Tarhan Bor Can you please guide me? Or provide some literature on this?
Thank you
Dear Arun Kumar I would recommend you to refer "Elements of X-ray diffraction" book by B.D. Cullity.Kind regards
Dear Arun,
Its important to get the data file for the concerned XRD.
However, you may follow the tutorial which I have prepared for the programs like JANA2006, VESTA etc. Here is the link
Method Tutorial on Rietveld Refinement of XRD patterns using the cr...
Harshit Agarwal yeah, the main problem is getting the raw file, I got the xrd done from elsewhere and they refused to provide the raw data file. I request you to download the attached file and see if there is any hope from that data.
Thank you
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