Crystal Structure Analysis

Crystal Structure Analysis : Principles and Practice

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This text focuses on the practical aspects of crystal structure analysis, and provides the necessary conceptual framework for understanding and applying the technique. By choosing an approach that does not put too much emphasis on the mathematics involved, the book gives practical advice on topics such as growing crystals, solving and refining structures, and understanding and using the results. The technique described is a core experimental method in modern
structural chemistry, and plays an ever more important role in the careers of graduate students, postdoctoral and academic staff in chemistry, and final-year undergraduates.

Much of the material of the first edition has been significantly updated and expanded, and some new topics have been added. The approach to several of the topics has changed, reflecting the book's new authorship, and recent developments in the subject.
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Product details

  • Paperback | 408 pages
  • 193 x 247 x 19mm | 882g
  • Oxford, United Kingdom
  • English
  • Revised
  • 2nd Revised edition
  • 140 line drawings and halftones
  • 0199219478
  • 9780199219476
  • 1,512,237

Table of contents

1. Introduction to diffraction ; 2. Introduction to symmetry and diffraction ; 3. Crystal growth and evaluation ; 4. Space group determination ; 5. Background theory for data collection ; 6. Practical aspects of data collection ; 7. Practical aspects of data processing ; 8. Fourier syntheses ; 9. Patterson syntheses for structure determination ; 10. Direct methods of crystal structure determination ; 11. An introduction to maximum entropy ; 12. Least squares fitting of parameters ; 13. Refinement of crystal structures ; 14. Analysis of extended inorganic structures ; 15. The derivation of results ; 16. Random and systematic errors ; 17. Powder diffraction ; 18. Introduction to twinning ; 19. The presentation of results ; 20. The Crystallographic Information File (CIF) ; 21. Crystallographic databases ; 22. X-ray and neutron sources ; Appendix A: Useful mathematics and formulae ; Appendix B: Questions and answers
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Review quote

`Review from previous edition 'Graduate students, lecturers, and professionals in crystallography, solid state chemistry, condensed matter physics, structural biology, and materials science, will find the thrust of this book exciting ... Professionals in the field would be morally and professionally remiss if they failed to read, consult and discuss this volume with students and colleagues. Amongst several features contributing towards making the book an
important acquisition are: comprehensive and up-to-date character; emphasis on practical aspects of the topic; inclusion of many worked examples and problems; and an abundance of illustrative material throughout.'
Current Engineering Practice `'... perhaps the most comprehensive and easy to use introduction to fundamental theory and techniques of structure analysis by X-ray diffraction, to appear from the world's scientific and technical publishing to date. It will be an invaluable reference to X-ray crystallographers, practitioners of X-ray analysis and all those involved in materials characterization.''
Current Engineering Practice `'This textbook should definitely be considered for use in introductory courses in X-ray structure determination as it provides a good framework for course organization. The concise treatment of the material (all of small-molecule X-ray crystallography in 265 pages) will work well when supplemented with lectures and additional class discussions.'
Acta Crystallographica `'The book is very well written, has an excellent organization of material and is filled with many illustrative examples of the subject matter.'
Acta Crystallographica
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About Alexander J Blake

William Clegg:
Formerly Wissenschaftlicher Assistant at the University of Goettingen in Germany, two Joint Appointments at Daresbury Laboratory, Founding Joint Editor of Acta Crystallographica Section E, BCA Council Member, RSC Corday-Morgan Medal 1985.; Alexander J Blake:
Formerly Research Fellow at the University of Edinburgh, previous Chairman of the BCA Chemical Crystallography Group, Deputy Editor of Acta Crystallographica Section C, Vice-President of the British Crystallographic Association, Scientific Director of the BCA CCG Intensive Course on X-ray Structural Analysis.

Jacqueline M Cole:
Formerly Research Associate at the University of Kent and Junior Research Fellow at St Catherine's College Cambridge, BCA Chemical Crystallography Prize 2000, Franco-British Science Prize 2006, Brian Mercer Feasibility Award 2007, RSC SAC Silver Medal 2009.; John S O Evans:
Formally Royal Commission for the Exhibition of 1851 Research Fellow at the Inorganic Chemistry Laboratories, Oxford, recipient of the RSC Meldola medal for contributions to solid state chemistry, former honorary secretary/treasurer of the BCA Physical Crystallography Group, chair of the ISIS crystallography panel, scientific co-director of the IoP Structural Condensed Matter Physics Group/BCA PCG residential school on powder diffraction.

Peter Main:
Co-developer of MULTAN program for direct methods in crystallography.; Simon Parsons:
Formerly Research Fellow at the University of Oxford and staff crystallographer at the University of Edinburgh, previous Chairman of the BCA Chemical Crystallography Group.; David J Watkin:
Coordinator for the program system CRYSTALS, founder of the BCA Intensive Schools, former chairman of the IUCr Computing Commission.
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