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Information Sources in Crystallography

Information Sources in Crystallography. Your Logo Here. Gregory K. Youngen Physics/Astronomy Librarian University of Illinois at Urbana-Champaign. A Dynamic Guide to the Crystallographic Literature. Founded on a request to consolidate reference sources around campus

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Information Sources in Crystallography

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  1. Information Sources in Crystallography Your Logo Here Gregory K. Youngen Physics/Astronomy Librarian University of Illinois at Urbana-Champaign

  2. A Dynamic Guide to the Crystallographic Literature • Founded on a request to consolidate reference sources around campus • A dynamic literature guide to the history of crystallographic information from the print to the electronic • Using resources available at UIUC and elsewhere • http://www.library.uiuc.edu/phx/crystal/crystalrev.html • Article: Science Libraries vol. 19(1), 2000 pp. 49-78

  3. Presentation Outline • Nature of Crystals • Development of Crystallography • Nature of Crystallographic Information • Development of the electronic resources

  4. Nature of Crystals • Crystals • Structure of the unit cell • arrangement of atoms within the molecule • Lattice - a repeating array of points in space • arrangement of the molecules • Crystal properties • physical characteristics,mechanical, electrical, magnetic & optical

  5. Symmetry & Mathematics • Symmetry, Lattices & Space Groups • 17 Plane Groups • 32 Point Groups • 230 Space Groups • International Tables for X-Ray Crystallography • Vol. A - Descriptions • Vol. B - Mathematical Applications

  6. Development of Crystallography • Outgrowth of Mineralogy • Importance to chemistry, solid state physics, materials science, engineering, biology • Industrial and Academic interests

  7. Critical Developments • X-Ray Diffraction • Max von Laue (Nobel Prize 1914) • W.H. and W.L. Bragg (Nobel Prize 1915) • The Powder Method • Peter J.W. Debye (Nobel Prize 1936) • Crystal Structure of DNA • Watson & Crick (Nobel Prize 1962)

  8. Societies • Too much data • Crystallographers Unite (Seperately) • UK (CDD, Cambridge) • US (ACA) • Germany (Zeit. Krist. Min., Strukturebericht) • International Union of Crystallography (IUCr)

  9. Publishing History • Textbooks • W.H. Bragg - X-Rays & Crystal Structure (1915) • Ralph Wyckoff, Crystal Structure, et al • International Conferences • Dedicated Journals • Acta Crystallographica (1948-) • Zeitschrift fuer Krystallographie un Mineralogie (1877-)

  10. Publishing History (cont.) • Guides to the Literature • Crystallographic Book List - Megaw • Abstracting and Indexing Sources • Mineralogical Abstracts, Bulletin Signaletique • Handbooks, Tables and Manuals • Crystal Structures - Wyckoff • Int’l. Tables for X-Ray Crystallography (IUCr) • Laue Atlas - Preuss

  11. Publishing History (cont.) • Databooks • Crystal Data Determinative Tables (NBS) • Structure Reports (IUCr) • Powder Diffraction File (ASTM)

  12. Database Development • Crystal Data Center Cambridge • Organic Information (CSD) • International Center for Diffraction Data (NBS/NIST) • PDF • FIZ - Karlsruhe • Inorganic (ICSD) • Brookhaven National Lab • Biological (Protein Data Bank)

  13. Reading the Data • Standardization • Crystallographic Information File (IUCr) • Interpretation Software • Visualization Tools • Data -> Structure • Future Developments • Integration services • Large data sets + E-Journals + Software

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