Input File

The input file for Bond_Str program can be a CFL or  CIF file. CFL file is a format that is recognized by all programs based in CrysFML. They have the extension *.cfl and are in free format. The different items are recognized thanks to keywords. A CFL file can be generated from a CIF file just running Bond_Str.


Alternatively, the GUI for Bond_Str program (GBond_Str) can be used directly to convert CIF files to CFL files. 


Remember that information about the chemical species (ionic oxidation states) is not always included in CIF files, so the user has to include it in the appropriate place in the atom string (see below) if he(she) wants to make bond-valence calculations.



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