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Chemical Engineering: Crystallography

Key Crystallography Databases

These are the primary resources we have for crystallographic data. Consult our crystallography research guide for more resources.

Cambridge Structural Database [More about CSD]

  • One million entries: small-molecule organic and metal-organic crystal structures. Each entry includes crystal structure information, chemical/physical property data, and associated journal article references.
  • There are 2 ways to access it: a web-based interface to CSD (WebCSD) and a downloadable suite of databases that includes CSD (CSD-Enterprise).

Inorganic Crystal Structure Database

  • More than 290,000 inorganic crystal structures, with associated crystallographic information, property data, and journal article references.

Powder Diffraction File - PDF-5+ [information]

  • 442,600+ inorganic and 623,000+ organic entries with diffraction data and associated bibliographic references. 
  • Please contact for information on accessing PDF-5+. Access is restricted to UC San Diego faculty, students, and staff.

Landolt-Börnstein / SpringerMaterials [information]

  • Large collection of property data that includes some volumes of crysSpringerMaterials 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-n, 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 and ......).
    • SciFinder-n requires a one-time registration, then logging in with each use (use VPN to access if off campus).
  • In Reaxys, consult the Physical Properties section of the substance record.