Collaborative Computational Project Number 14 (CCP14) For Single Crystal and Powder Diffraction (Freely Available Crystallographic Software for Students and Academia)

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Crystallographic and Related Databases

• COD - Crystallography Open Database
• CCDC - Cambridge Crystallographic Data Centre
• ICSD (Inorganic Crystal Structure Database) - on CD-ROM
• ICSD (Inorganic Crystal Structure Database) - on the Web

• How to purchase ICSD for inhouse/intranet with WWW interface

• Jeremy Cockcroft's Hypertext Book of Space Groups  
  

• Structures with Z '> 1 (i.e. more than one molecule in the asymmetric unit) are of intense current interest. As part of an EPSRC funded project, a web site has been developed concerning these fascinating systems including an annotated database of structures with high Z '> 1 as well as an index of useful literature.
  Please visit http://www.durham.ac.uk/zprime for more details.

• WWW-MINCRYST - Information-Calculating System on Crystal Structure Data for Minerals - (Structures and other information - very impressive and comprehensive): http://database.iem.ac.ru/mincryst/ and http://database.iem.ac.ru/mincryst/s_full.php3

• Mineral Web (with Chime plugin structure animations)
• American Mineralogist/Mineralogical Society of America Structure Database - on the Web
• American Mineralogist/Mineralogical Society of America Structure Database - on the Web
• Web Minerals - Very night quality
• Minerals at Athena - one of the original and the best
• All Minerals of the World / Tous les minéraux de la terre
• NeXus: Neutron & X-ray Data Format
• ICDD - International Centre for Diffraction Data
• CCP4 Software Suite for Macromolecular Crystallography
• CCP14 Software Suite for single crystal and powder diffraction
• CRYSTMET Structure and Powder Database for Metals and Intermetallic Compounds.
• Neutron Scattering Length Table
• X-Ray scattering database
• Periodic Table of Elements
• X-ray anomalous scattering
• ALTWYK - Symmetry equivalent positions generator - NRC - with Wyckoff Positions
• SGInfo - Symmetry equivalent positions generator
• Bilbao Crystallographic Server - Spacegroup Information, Incommensurate Structures Database
• Space-Group HyperTABLES (SGHT)
• X0h calculating crystal susceptibilities X0 , Xh (chi-zero , chi-h) for x-ray range.
• SI units conversions
• Protein Data Bank (PDB)
• Zeolites (The IZA Structure Commission)
• Structure Determination from Powder Diffraction - Database
• PowBase (Powder Patterns Database)
• Waasmaier and Kirfel's Analytical Scattering Factor Functions for Free Atoms and Ions
• Chart of Nuclides

Crystal Chemistry Websites

• The Fourteen Bravais Lattices: http://xray.chm.bris.ac.uk:8000/courses/gradschool/bravais.html

• Close Packing, bravias lattices, structural elements in "Mineral Web": http://www.man.ac.uk/Geology/MineralWeb/Mineral_Web.html

• Close Packing, Layered Structures, Bonding in "Alan Hewat ILL Page": http://www.ill.fr/dif/3D-crystals/

• 6-Connected 3D Nets in "Armel Le Bail page": http://sdpd.univ-lemans.fr/vrml/6c3d/6c3dnets.html

• Basic Crystallography Diagrams by B. Craig Taverner: http://hobbes.gh.wits.ac.za/craig/diagrams

• Close-packed structures. by P. Krishna and D. Pandey: http://www.ch.iucr.org/iucr-top/comm/cteach/pamphlets/5/index.html

• The Topology of Crystallographic Groups and Simple Crystal Structures by Carroll K. Johnson and Michael N. Burnett : http://www.ornl.gov/ortep/topology.html