Data and Databases for Crystallography

• WWW Table of Isotopes A number of references and data about isotopes, atomic data, nuclear sciences references...
• American Mineralogist Crystal Structure Database
• CAOS/CAMM - National Center for Computer-Aided Chemistry and Bioinformatics - Some free services for modelling and data base use
• Crystal Lattice - Structures - a concise index by Strukturbericht designation, Pearson Symbol and Space Group; also crystal structures of intermetallic alloy phases
• Program Exchange Bank's World Directory of Powder Diffraction Software
• Lists of cis-pro and cis-peptides
• XENON References about xenon in protein crystallography
• RHF scattering factors for atoms, core and valence shells, excellent analytical approximations to these scattering factors and analytical wave functions which represent the results on which the scattering factors are based.
• MSI, Materials Science International Services, GmbH, Knowledge and Phase Diagrams
• Tables of X-Ray Mass attenuation coefficients and Mass Energy-Absorption Coefficients held at NIST
• Sources of Crystallographic Information held at the University of Illinois
• NeXus, A Common Data Format for Neutrons and X-rays [European Mirror site]
• Atomic, Molecular and Plasma data Data and Web server from Southwest Research Institute San Antonio (USA)
• Absorption corrections using Cromer and Liberman calculations from Stanford U.
• Studsvik Disordered Structures Database
• DABAX: A Dynamic Database for X-ray applications
• Surface Crystallographic Database (SSD)
• MDPI crystal samples registration, collection and exchange.
• The Java Lattice page Interactive Macromolecular Graphics with JAVA
• Zeolites - Atlas of Structure Types and Collection of Simulated XRD Powder Patterns
• Neutron Scattering length table and UK mirror site
• Chart of Nuclides
• WWW Chemical Structures Database
• SgInfo - Symmetry equivalent positions generator [Zürich] [Yale]
• CRYSTMET and CRYSTDAT - Databases of crystallographic information on intermetalic structures
• Macromolecular Crystal Packing in Virtual Reality
• SDPD-D Structure Determination from Powder Diffraction - Database
• Elastic photon-atom scattering data
• X-ray Interactions with Matter
• X-ray anomalous scattering
• High-temperature superconductors
• Symmetry equivalent positions generator
• Waasmaier and Kirfel's Analytical Scattering Factor Functions for Free Atoms and Ions
• Biological Macromolecule Crystallization Database
• CSD, Cambridge Structural Database - documentation and information from the Cambridge Crystallographic Data Centre
• CIF - Crystallographic Information Files, a complete documentation from the IUCr.
• Chemical Database Service at Daresbury hosts crystallographic databases for use (free of charge) by all UK academics.
• ICSD - Inorganic Crystal Structure Database - information from [FIZ] [Bonn, with ICSD Users' Group] [ICSD for WWW - demo]
• MOOSE -PDB interrogation
• Nucleic Acid Database (Rutgers)
• Periodic Table of Elements
• Protein Data Bank (PDB) - | RCSB | Brookhaven |
• SI units conversions
• SRS - Network browser for databanks in Molecular Biology
• SCOP - Structural classification of proteins database
• X-Ray scattering database
• International Centre for Diffraction Data
• CSIRO Crystallographic Gopher