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Chemistry & Biochemistry: Crystallography

These are the primary resources we have for crystallographic data. Consult our crystallography research guide for more information about these and other crystallography resources, including visualization tools.

Databases for Crystallographic Information

Database Content Notes
Cambridge Structural Database [information] 1 million entries: small-molecule organic and metal-organic crystal structures. Each entry includes crystal structure information, chemical/physical property data and associated journal article reference. Two options available: a web-based interface to CSD (WebCSD), and a downloadable suite of databases that includes CSD (CSD-Enterprise).
Inorganic Crystal Structure Database 200,000 inorganic crystal structures, with associated crystallographic information, property data, and journal article reference.  
Powder Diffraction File - PDF-4+ [information] 461,000+ entries of inorganic diffraction data from crystals and powders.  Please contact for information on accessing PDF-4+
Landolt-Börnstein / SpringerMaterials [information] Large collection of property data that includes some volumes of crystallographic data. SpringerMaterials is free to search, but we don't have a license for the database. We have the pre-2010 Landolt content online in Portico. See the Landolt/Portico handout for instructions. 
  • If you need a crystal structure from the Inorganic Solid Phases collection, you may be able to locate what you need in one of the other databases listed here.
SciFinder-n and Reaxys [more] Key databases for chemical property data and associated journal article references.
  • From the chemical substance record in SciFinder, check the Experimental Properties and/or look at the references (limiting results to crystal structure). You can also search it as a topic (crystal structure of ......).
  • In Reaxys consult the Physical Properties section of the substance record.
SciFinder requires a one-time registration, then logging in with each use.