Chemistry: Crystallography

Aims to cover all basic crystal structure, x-ray diffraction, property and phase diagram data of inorganic and metallic materials from main literature sources.

This society's website includes their publications, news, activities, meetings, educational links, and career information.

A crystal structure database that includes every structure published in the American Mineralogist, The Canadian Mineralogist, and the European Journal of Mineralogy. Also, data from Physics and Chemistry of Minerals is currently being added.

Crystallographic programs and databases.

Contains crystal data and the crystallization conditions, which have been compiled from the literature. The current version includes 5247 crystal entries from macromolecules for which diffraction quality crystals have been obtained. These include proteins, protein:protein complexes, nucleic acid, nucleic acid:nucleic acid complexes, protein:nucleic acid complexes, and viruses.

Some services of this repository of small molecule crystal structures, are free. You may find useful these two articles from the Journal Of Chemical Education describing this database: http://pubs.acs.org/doi/abs/10.1021/ed1011019 and http://pubs.acs.org/doi/abs/10.1021/ed1011025. This article describe the use of this database in chemical education: http://scripts.iucr.org/cgi-bin/paper?S0021889810024155

The Collaborative Computational Project Number 14 for Single Crystal and Powder Diffraction is a directory to the best and most commonly used crystallography programs.

A concise index of common crystal lattice structures. Contains 264 structures in 94 of the 230 space groups.

Has measurements for ~18,000 organic and inorganic substances.

Drawings and crystallographic data for all zeolite types, with relevant references.

An archive of complete crystal structure data for small molecules.

This 1962 book has been digitized and mounted on the web as a free site.

A database of crystallographic data.

From the Portland State Nano-Crystallography Group, this site provides interactive 3D visualizations of crystal structures and morphologies.

A non-profit scientific organization dedicated to collecting, editing, publishing, and distributing powder diffraction data for the identification of crystalline materials.

An international scientific union that promotes research, cooperation, standardization of methods, and publications in crystallography. It's resources include news, directories, and teaching resources.

This database contains 4,442 individual mineral species descriptions with links and a comprehensive image library. Mineral data for individual species are linked to mineral tables by crystallography, crystal structures, X-Ray powder diffraction, chemical composition, physical and optical properties, Dana's New classification, Strunz classification, mineral specimen images, and alphabetical listings of mineral species. There also are extensive links to other external sources of mineral data and information.

8557 entries for minerals, containing space group, unit cell parameters, atomic positions, and other data.

A repository of three-dimensional structural information about nucleic acids.

Powder diffraction patterns for over 160 compounds.

Contains structures of just under 100,000 proteins and nucleic acids. A “detailed view” gives such information as the space group, the primary structure (amino acid or base sequence), the resolution of the structure, and a citation to the primary literature.

A distributed database used by research crystallographers to store information about molecular structures. Much of the data is available to the general public. Funded by the National Science Foundation, there are now 18 participating crystallography laboratories online.

Contains an introduction, list of repositories & databases, online learning, organizations, books & reference works, selected journals, and a glossary for x-ray crystallography.

An introduction to this field.