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Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition

  • Textbook
  • © 2009

Overview

Authors:
  1. Vitalij K. Pecharsky

    1. Department of Materials Science and Engineering and Ames Laboratory of US Department of Energy, Iowa State University, Ames, USA

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    You can also search for this author in PubMed   Google Scholar

  2. Peter Y. Zavalij

    1. Department of Chemistry and Biochemistry, University of Maryland, College Park, USA

    View author publications

    You can also search for this author in PubMed   Google Scholar

  • Comprehensive and detailed coverage making it useful for both the novice and experienced user of the powder diffraction method.
  • Serves as a textbook for students or reference for academic and industrial researchers.
  • Major revisions include:
  • expanded treatment of non-crystallographic symmetry
  • brief introductions to the total scattering analysis and non-ambient powder diffractometry
  • basics of quantitative analysis using the Rietveld method, including determination of amorphous content
  • addition of a difficult pseudo-symmetric indexing case
  • expanded coverage of direct space structure solution techniques
  • an introduction to the mechanism of constraints, restraints and rigid bodies and a new example of structure solution of a pharmaceutical compound
  • additional problems to help in assessment of students’ progress.
  • Includes supplementary material: sn.pub/extras
  • Request lecturer material: sn.pub/lecturer-material

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Table of contents (25 chapters)

  1. Front Matter

    Pages i-xxiii
    Download chapter PDF

  2. Fundamentals of Crystalline State and Crystal Lattice

    Pages 1-15

  3. Finite Symmetry Elements and Crystallographic Point Groups

    Pages 17-50

  4. Infinite Symmetry Elements and Crystallographic Space Groups

    Pages 51-75

  5. Formalization of Symmetry

    Pages 77-95

  6. Nonconventional Symmetry

    Pages 97-106

  7. Properties, Sources, and Detection of Radiation

    Pages 107-132

  8. Fundamentals of Diffraction

    Pages 133-149

  9. The Powder Diffraction Pattern

    Pages 151-202

  10. Structure Factor

    Pages 203-238

  11. Solving the Crystal Structure

    Pages 239-262

  12. Powder Diffractometry

    Pages 263-300

  13. Collecting Quality Powder Diffraction Data

    Pages 301-346

  14. Preliminary Data Processing and Phase Analysis

    Pages 347-405

  15. Determination and Refinement of the Unit Cell

    Pages 407-495

  16. Solving Crystal Structure from Powder Diffraction Data

    Pages 497-545

  17. Crystal Structure of LaNi4.85Sn0.15

    Pages 547-577

  18. Crystal Structure of CeRhGe3

    Pages 579-601

  19. Crystal Structure of Nd5Si4

    Pages 603-610

  20. Empirical Methods of Solving Crystal Structures

    Pages 611-631
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Keywords

About this book

A little over ?ve years have passed since the ?rst edition of this book appeared in print. Seems like an instant but also eternity, especially considering numerous developments in the hardware and software that have made it from the laboratory test beds into the real world of powder diffraction. This prompted a revision, which had to be beyond cosmetic limits. The book was, and remains focused on standard laboratory powder diffractometry. It is still meant to be used as a text for teaching students about the capabilities and limitations of the powder diffraction method. We also hope that it goes beyond a simple text, and therefore, is useful as a reference to practitioners of the technique. The original book had seven long chapters that may have made its use as a text - convenient. So the second edition is broken down into 25 shorter chapters. The ?rst ?fteen are concerned with the fundamentals of powder diffraction, which makes it much more logical, considering a typical 16-week long semester. The last ten ch- ters are concerned with practical examples of structure solution and re?nement, which were preserved from the ?rst edition and expanded by another example – R solving the crystal structure of Tylenol .

Reviews

From a review of the first edition:

“The book is well written and organized. The authors’ enthusiasm and dedication to the subject matter are clearly evident. I find the book to be not only an excellent introduction to structural characterization, but also a valuable introduction to the world of the working crystallographer. The text is rich in references to internet resources, software, literature, organizations, databases, and institutions that x-ray researchers employ routinely. As a class text the book could be used in an introductory course for third or fourth year undergraduates in materials science, chemistry, physics, or geochemistry. The detailed structural treatments may be too much for the typical introductory x-ray diffraction course, but students would be adding a valuable text for future reference to their libraries. The sections are also ideal for more advanced coursework at the graduate level. Beyond the classroom, any researcher desiring structural information on materials would benefit from this book.” - Materials Today, July/August 2004

 

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http://www.amazon.com/Fundamentals-Diffraction-Structural-Characterization-Materials/dp/0387241477/ref=pd_bbs_sr_1?ie=UTF8&s=books&qid=1229536007&sr=8-1

Authors and Affiliations

  • Department of Materials Science and Engineering and Ames Laboratory of US Department of Energy, Iowa State University, Ames, USA

    Vitalij K. Pecharsky

  • Department of Chemistry and Biochemistry, University of Maryland, College Park, USA

    Peter Y. Zavalij

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