Nano Net

100 years of modern crystallography:

Welcome to the Open Access Crystallography Resource Portal

Crystallography Open Database: Contains more then 360,000 small molecules and small to medium unit cell crystal structures (including minerals but excluding biopolymers). Main sites (in France) and (in Lithuania). Less frequently updated mirrors (in France), (in Spain), and (in North America).

Portland State University’s Nano-Crystallography Group: hosts small educational open access databases of common crystal structures (e.g. EDU-COD and CMD). The Wiki Crystallography Database, to which we invite you to contribute, offers over 8,000 entries on minerals.

Full Profile Search Match: A “Rietveld like” fitting procedure is utilized to quantify the crystal phase content as well as the average crystallite sizes and strains from a two column plain text input file that you need to create from the output of your powder X-ray diffractometer. The Crystallography Open Database (COD) provides the necessary crystal structure information. Since the basis of these quantifications is the automatic identification of the crystal phases in your crystal powder sample, it is all the more important that the scientific community makes the COD as complete as possible (by e.g. uploading their own CIFs or contributing to that project by other means).

RCSB Protein Data Bank: The Information Portal to Biological Macromolecular Structures; with links to Worldwide Protein Data Bank (wwPDB) and EMDataBank (Unified Data Resource for 3-Dimensional Electron Microscopy).  

American Mineralogist Crystal Structure Database: Contains all crystal structure data published in the American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy, and Physics and Chemistry of Minerals, as well as selected datasets from other journals. Should the use of the database require a citation, then please use: Downs, R.T. and Hall-Wallace, M. (2003) The American Mineralogist Crystal Structure Database. American Mineralogist 88, 247-250. (to download *pdf)

RRUFFTM Project: Is an integrated database of Raman spectra, X-ray diffraction and chemistry data for minerals.

Material Properties Open Database: An open access database focusing on crystallographic structures, material phases and their relation to macroscopic material properties. Should the use of this database require a citation, then please use: Giancarlo Pepponi, Saulius Gražulis, and Daniel Chateigner: MPOD: a Material Property Open Database linked to structural information. Nuclear Instruments and Methods in Physics Research B 284, 2012, 10-14. (to download *.pdf)

The Inorganic Material Database: Aims to cover all basic crystal structure, x-ray diffraction, property and phase diagram data of inorganic and metallic materials. As of July 1, 2010, there were 82,000 crystal structure, 55,000 material property, and 15,000 phase diagram entries. Up to 30 crystallographic information files can be downloaded for free per day. Should the use of the database require a citation, then please use: Yibin Xu, Masayoshi Yamazaki, and Pierre Villars, (2011) Inorganic Materials Database for Exploring the Nature of Materials, Japanese Journal of Applied Physics 50, 11RH02. (to download *.pdf)

Cambridge Structural Database (CSD): Individual crystallographic information file data sets of small organic molecules are provided freely on the understanding that they are used for bona fide research purposes only.

Predicted Crystallography Open Database: Contains over 1,000,000 inorganic compounds (silicates, phosphates, sulfates of Al, Ti, V, Ga, Nb, Zr, zeolites, fluorides, etc). Derived product; P2D2 (Predicted Powder Diffraction Database) contains all powder patterns calculated from the PCOD. Main site (in France). Less frequently updated mirrors (in France) and (in North America).

Theoretical Crystallography Open Database: Contains crystallographic information files for crystal and molecule structures (excluding biopolymers) that are predicted or refined by density functional calculations (with some input of experimentally derived constraints.)

Bibao Crystallographic Server: Offers online crystallographic information (Space Groups, Layer Groups, Rod Groups, Frieze Groups, Wyckoff Sets) and programs for structural and mathematical crystallography, solid state physics, and structural chemistry.

Daniel B. Litvin’s website: Comprehensive information and downloads on sub-periodic and magnetic space groups from the co-author of the International Tables for Crystallography. Vol. E, Subperiodic Groups, IUCr, 2002

Birkbeck College’s Hypertext Book of Crystallographic Space Group Diagrams and Tables: website, high resolution imagesmedium resolution images

The CrystalEye Project: Is an aggregate of web resources relating to crystallography which has recently merged with the COD project.

Kenneth G. Libbrecht’s Snow Crystal page: This site is all about snow crystals and snowflakes — what they are, where they come from, and just how these remarkably complex and beautiful structures are created, quite literally, out of thin air. website

Crystal morphology, Fourier transforms, and much more: A tutorial (website) of crystal morphology; Steffen Weber’s Crystallography Picture Book series includes Nanotubes & Nanocones,FullerenesCrystal Forms and Crystal StructuresKevin Cowtan’s Picture Book of Fourier Transforms; Werner Kaminsky’s and Steffen Weber’s free crystallographic software.

Resources on the History of Mineralogy and Crystallography: Bart Kahr and Alexander Shtukenberg’s review of histories of these fields, Histories of Crystallography (*.pdf download). Curtis Schuh’s detailed history covering discoveries from ancient Egypt to 20th century crystallography, Schuh, C. P. (2007a) Mineralogy & Crystallography: On the History of These Sciences From Beginnings Through 1919 . Schuh’s extensive annotated biobibliography of the people, discoveries and books in the fields of mineralogy and crystallography, Schuh, C. P. (2007b) Mineralogy & Crystallography: An Annotated Biobibliography of Books Published 1469 through 1919, Volume IVolume II.

Celebrating 100 years of X-ray crystallography: A collection of articles contributed by speakers at the Bragg Centennial Symposium held in Adelaide on 6 December 2012. website. Selected papers: Introduction to these articles by S. W. Wilkins (*.pdf download). Background to the Nobel Prize to the Braggs (*.pdf download). The significance of Bragg’s law in electron diffraction and microscopy, and Bragg’s second law (*.pdf download).

Laue centennial – 100 years of X-ray diffraction: Crystalline Materials articles celebrating 100 years of X-ray diffraction, website. A selection of articles related to the Laue symposium, website.

Crystallography – Defining the Shape of Our Modern World: A Book Exhibit at the University of Illinois at Urbana-Champaign Commemorating the 100th anniversary of the discovery of X-ray diffraction, website.

UNESCO brochure – Crystallography matters!: This booklet outlines the scope of the International Year of Crystallography.The brochure can be downloaded in EnglishGermanFrench and Arabic.  The brochure, Crystallography matters! describes the role of crystallography in the modern world and the significance of the International Year of Crystallography. (*.pdf downloadwebsite.

24th Congress & General Assembly of the International Union of Crystallography, 21 – 28 August 2017. Download the brochure here.Advances in Structural and Chemical Imaging (ASCI), the PREMIER Network Conference Series:ASCI 2013 –  Eugene, OR, 5/29/13 – 5/30/13, ASCI 2014  – Seattle, WA, 5/27/14 – 5/28/14 ASCI 2015  – Pullmann, WA, 5/20/15 – 5/22/15, ASCI 2016  – Boise, ID, 5/18/15 – 5/20/152019 Maintained by Portland State University’s Nano-Crystallography Group.