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.
FIZ Karlsruhe provides the scientific and the industrial community with ICSD (Inorganic Crystal Structure Database), the world's largest database for completely determined inorganic crystal structures. The ICSD contains an almost exhaustive list of known inorganic crystal structures published since 1913, including their atomic coordinates.
The primary worldwide repository for biological macromolecular structure data, published by the Research Collaboratory for Structural Bioinformatics (RCSB).
The goal of the Nucleic Acid Database Project (NDB) is to assemble and distribute structural information about nucleic acids. The NDB is currently providing information on nearly 5,000 structures.
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.