Questions tagged [cif]

For questions about the use of Crystallographic Information File – file format used in structural sciences.

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Is there a script that will suggest (hkl) indices based on distances in an electron diffraction pattern for a known crystal structure?

I am looking for a script (preferably in Python) that will suggest (hkl) indices based on distances in an electron diffraction pattern. The crystal structure is known,i.e. I have the CIF file and know ...
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How to create a cif file using VESTA?

I am looking into double perovskite materials. One of the possible materials is Cs4CuSb2Cl12. Now, although there are a few papers which have done ab intio calculations but none of the common open ...