Crystal Structures and Crystallography Links

WWW sites, journals, databases:

  • IUC - International Union of Crystallography
  • American Mineralogist Crystal Structure Database
  • CCDC - Cambridge Crystallographic Data Centre
  • CCP14 - Collaborative Computational Project Number 14 for Single Crystal and Powder Diffraction
  • Crystal Lattice Structures at CCMS-NRL
  • Crystallography Journals online
  • WebElements (General data, crystal structures, links to related compounds, ...)
  • WebMineral Mineralogy Database (Crystallography, X-ray Diffraction, Classification, etc.)
  • WWW-MinCryst Crystallographic and Crystallochemical Database for Minerals
  • Crystallography 101 - An Introductory Course by Bernhard Rupp
  • ФНМ-11 and other links - Lecture notes on powder diffraction (in Russian)
  • Cristallographie - Diffraction, site de Jean-Pierre Lauriat
  • Summer Schools on Mathematical Crystallography, Nancy, France, 21 June - 2 July 2010 with many on-line documents
  • Symmetry points in various Brillouin zones from the web page of Peter Hadley at TU Graz; its local copy;
    BZ figures from the Bradley and Cracknell book; BZ figures and symm. k-points at the Bilbao Crystallographic Server

    Processing structural data:

  • Bilbao Crystallographic Server (Space groups, Wyckoff positions, irreps etc.)
  • Crystallographic Space Group Diagrams and Tables (including all alternative settings)
  • International Tables
  • CIF - The Crystallographic Information File
  • Utilities to check the CIF syntaxis: IUCRVAL, vcif
  • Conversion between many formats in molecular modeling and computational chemistry: Open Babel

    Vizualization tools

  • List of molecular graphics systems
  • Mercury - PLATON - MOLDEN - Moviemol - VESTA