- University of Wisconsin-Madison
- Research Guides
- X-Ray Crystallography
- Repositories/Databases
X-Ray Crystallography : Repositories/Databases
Databases and Repositories
- Cambridge Structural Database (CSD)WebCSD and the full downloadable version of the CSD are available to UW-Madison staff and students.
The CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing over 900,000 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. - Inorganic Crystal Structure DatabaseLicensed for UW-Madison faculty, staff, students
Contains inorganic crystal structures, with atomic coordinates, published since 1913 - Protein Data Bank (PDB)The Protein Data Bank (PDB) archive is the single worldwide repository of information about the 3D structures of large biological molecules, including proteins and nucleic acids. The structures in the archive range from tiny proteins and bits of DNA to complex molecular machines like the ribosome.
- Nucleic Acids Database (NDB)The NDB contains information about experimentally-determined nucleic acids and complex assemblies. Use the NDB to perform searches based on annotations relating to sequence, structure and function, and to download, analyze, and learn about nucleic acids.
- Powder Diffraction File, International Centre for Diffraction DataAvailable to UW-Madison users of Materials Science Center Facilities only.
The PDF-4+ combines the world’s largest sources of inorganic diffraction data from crystals and powders into a single database. - American Mineralogist Crystal StructureIncludes every structure published in the American Mineralogist, The Canadian Mineralogist, and the European Journal of Mineralogy. Searchable by mineral, author, element, cell parameters, and text.
- Database of Zeolite StructuresThis database provides structural information on all of the Zeolite Framework Types that have been approved by the Structure Commission of the International Zeolite Association (IZA-SC).Classically, zeolites are defined as aluminosilicates with open 3-dimensional framework structures composed of corner-sharing TO4 tetrahedra, where T is Al or Si. Cations that balance the charge of the anionic framework are loosely associated with the framework oxygens, and the remaining pore volume is filled with water molecules. The non-framework cations are generally exchangable and the water molecules removable. This definition has since been expanded to include T-atoms other than Si and Al in the framework, and organic species (cationic or neutral) in the pores.
Each time a new zeolite framework structure is reported, the members of the Structure Commission of the International Zeolite Association (IZA-SC) check to see if it has a unique framework type. If it does and the structure has been established to the satisfaction of the members of the IZA-SC, a unique 3-letter code is assigned.
Descriptions of all of the Framework Types that have been assigned codes by the IZA-SC are included in this database. A number of terms that are used in the database to describe zeolite framework structures are defined here. - Reciprocal NetAn extensive distributed and open digital collection of molecular structures submitted by partner institutions, including UW-Madison.
- Crystallography Open DatabaseOpen-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers.
- Bilbao Crystallographic Server. Materials Laboratory, University of Basque Country, SpainA collection of crystallographic programs and databases including programs on space-group symmetry, solid-state theory, and more.