Mercury

Mercury provides an extensive array of options to aid the investigation and analysis of crystal structures. Generate packing diagrams, define and visualize Miller planes, and take a slices through a crystal in any direction. Build and explore networks of intermolecular contacts to gain an understanding of the strengths and weaknesses of structures and identify the key interactions that drive crystal packing.

Mercury is a free download from the Cambridge Crystallographic Data Centre: https://www.ccdc.cam.ac.uk/Community/csd-community/freemercury/