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More Databases to Try
Crystallography Open Database
Open access collection of crystal structures from organics, organometallics, inorganics, and minerals - +390,000 entries. Structures can be viewed in JSmol and downloaded (.cif).
American Mineralogist Crystal Structure Database
Database of structures published in American Mineralogist, The Canadian Mineralogist, and Physics and Chemistry of Minerals.
ASM Alloy Phase Diagram Database
Database of 40,300 binary and ternary alloy phase diagrams, from over 9,000 systems. With associated crystal and reaction data.
RCSB Protein Data Bank
Repository of structural information on biological macromolecules, including proteins and nucleic acids, +140,000 records. Structures can be visualized, downloaded, and deposited. See also: Nucleic Acid Database
SciFinder and Reaxys
For SciFinder, start at the chemical substance record:
- From Experimental Properties, select the Structure Related tab for structure properties (crystal structure, x-ray diffraction pattern, etc.) and associated literature references.
- From Get References, check the box to limit results to Crystal Structure and run the search to bring up related article and patent references.
You can also search it as a topic, either by compound or group of compounds: crystal structure of carbonitrides.
If you haven't used SciFinder before, you'll need to create an account first (more information).
For Reaxys, check the Physical Data list in the substance record for your substance for crystal phase, crystal property system, crystal system, and Space Group for information and associated literature references. You can also use the Query Builder to search on these properties.
- For inorganic and organometallic compounds, you may need to refer back to the Gmelin Handbooks which, along with Beilstein, were the print predecessors to Reaxys
- Gmelin Handbook of Inorganic Chemistry - Indexes QD151 .G52
Located in Geisel 1 East, in the Indexes (after the Journals), There are a lot of volumes, but they're organized by element and there's a set of formula indexes. Older volumes are in German with some English.
- TYPIX - Reference QD908 .G52 1993
Standardized data and crystal chemical characterization of inorganic structure types