Refcode ASETEZ - Iron-molybdenum inorganic ring (shown with orange and blue polyhedra, respectively)įig.

Two examples of images produced with it (from it's site):įig. The free version can be downloaded in this link (available for Windows, Linux and Mac) and the instructions to activate it are here. View Bravais, Friedel, Donnay and Harker (BFDH) theoretical crystal morphologies.the strongest user-defined interactions in the crystal structure Calculate intermolecular potentials and display e.g.Perform molecule-based gas phase calculations via an interface to MOPAC.Calculate and display voids (free space in crystal structures) based either on contact surface or solvent accessible surface.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.

Generate packing diagrams, define and visualize Miller planes, and take slices through a crystal in any direction.

It is part of the Cambridge Structural Database (CSD). Mercury is a specialized software to treat/manipulate crystal structures.

Download cell structure for free