UVA does not subscribe to the Inorganic Crystal Structure Database or the Powder Diffraction File of the International Centre for Diffraction Data. The following are major databases that contain crystallographic data.
The CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing over 850,000 entries from x-ray and neutron diffraction analyses, this unique database of accurate 3D structures has become an essential resource to scientists around the world.
The Biological Macromolecule Crystallization Database (BMCD) contains molecule, crystal and crystallization data for macromolecules for which diffraction quality crystals have been obtained. These include proteins and nucleic acids, various complexes, and viruses.
This web site is an interface to a crystal structure database that includes every structure published in the American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy and Physics and Chemistry of Minerals, as well as selected datasets from other journals.
The International Union of Crystallography (IUCr) has compiled a list of relevant database, both free and fee-based dealing with crystallography. It also provides links to various data gathering agencies and data formats.