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Properties of Chemicals and Materials: Crystallography

Physical property data resources for chemicals and materials

Here's an overview of our major information resources for crystallographic data. Consult our crystallography research guide for more information about accessing and using these databases.

Databases for Crystallographic Information

  Content Notes
Cambridge Structural Database [information] 800,000 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 185,000 inorganic crystal structures, with associated crystallographic information, property data, and journal article reference.
Powder Diffraction File - PDF-4+ [information] 365,000 entries of inorganic diffraction data from crystals and powders.  Not online. Only available from workstation in the GIS Lab near the Geisel Library Research Advisory Desk (main floor, west wing). Can save PDF cards on a USB drive.
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 te handout on our Landolt page 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 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.