Has the structure been solved already?Crystallographic Structure Databases
(UK based academics and students already have free access via the EPSRC funded CDS (Chemical Database Service):
- http://cds.dl.ac.uk/
- Dutch equivalent is the CMBI at: http://www.cmbi.kun.nl/cheminf/
- ICSD (Minerals and Inorganics)
- http://www.fiz-karlsruhe.de/
- Web accessible demonstration:
- http://barns.ill.fr/dif/icsd/
- MDF/CRYSTMET
- (Metals and Alloys)
- http://www.tothcanada.com
- CCSD
- (Organics and Organometallics)
- http://www.ccdc.cam.ac.uk/
- American Mineralogist
- http://www.geo.arizona.edu/xtal-cgi/test/
- WWW Mincryst
- http://database.iem.ac.ru/mincryst/
- 2398 unique phases - most with crystal structure data
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