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Useful Software

• Mercury is a free software from the CCDC, which is primarily intended for the visualization and analysis of crystal structures. Well suited for quickly creating presentable figures and is relatively easy to use, but is less suitable for editing the structural model.


• Olex² is an easy-to-use program that contains everything needed to solve, refine and complete crystal structures. Can do basically everything, the tutorials on the Olex² channel are highly recommended for inexperienced users.

Useful Websites and Online Services

• On the website of the Cambridge Crystallographic Data Centre (CCDC) you can deposit your own crystal structure data for a publication or download CIFs from the literature.


• CheckCIF is an automated CCDC service that checks CIFs for missing entries and errors. Today, many journals require fresh checkCIF reports along with the CIFs when submitting a publication.


• A list of all commands in ShelXL and their syntax.