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Theories and Techniques of Crystal Structure Determination

Uri Shmueli

Price: £68.00 (Hardback)
ISBN-13: 978-0-19-921350-4
Publication date: 7 June 2007
288 pages, 38 b+w line drawings, 2 b+w halftones and 1 colour plate, 234x156 mm
Series: International Union of Crystallography Monographs on Crystallography number 9
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A sample of this book is available in PDF format

A sample of this book is available in PDF format

There is an alternative edition

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Reviews
  • 'Timeless, because it presents the unchanging mathematical background to crystallography.' - David Watkin, University of Oxford
  • 'An approach with many advantages.' - Peter Paufler, Technical University of Dresden

Description
  • Clearly presents the process of crystal structure determination.
  • Pedagogical and self-contained.
  • Includes a detailed discussion of crystallographic symmetry.
  • Places emphasis on methods to solve the phase problem.
This concise book is for chemists, material scientists, and physicists who deal with description of crystalline matter and the determination of its structure, and would like to gain more understanding of the principles involved. The main purpose of the book is to introduce the reader to principles of crystallographic symmetry, to discuss some traditional, as well as modern, experimental techniques, to formulate the phase problem of crystallography, and present in some detail the methods for its indirect and direct solution which are indispensable for further work. The book also contains discussions of structure-factor statistics, of value for resolving space-group ambiguities, and atomic displacement parameters which form an inseparable part of the structure. A discussion of the refinement of structural parameters, conventional, constrained and restrained, concludes the book. Derivations are, as far as possible, self contained and wherever mathematical detail might disrupt the line of reasoning the reader is referred to one of four appendices present in the book. The book is of course valuable for students of crystallography at a graduate and upper undergraduate level. No previous course on crystallography is a prerequisite for graduates in the above fields.

Readership: Advanced undergraduate students, graduate students, and professionals in crystallography, chemistry, materials science and physics.

Contents
1. Symmetry in Crystals: Fundamentals
2. Point Groups and Lattice Types
3. Space-Group Symmetry
4. X-ray Diffraction Techniques
5. The Structure Factor and the Electron Density
6. The Patterson Function
7. Structure-Factor Statistics
8. Direct Methods
9. Atomic Displacement Parameters
10. Refinement of Structural Parameters
Appendices
Some Geometrical Considerations
Fundamentals of Tensor Notation
Basic Notions from the Theory of Probability
The Discrete Fourier Transform Method

Authors, editors, and contributors


Uri Shmueli, Tel Aviv University


Links to web resources and related information
Errata for book


More in the same subject area:
Physics
Crystallography
Chemistry
Materials science
Physical chemistry
Solid state chemistry

The specification in this catalogue, including without limitation price, format, extent, number of illustrations, and month of publication, was as accurate as possible at the time the catalogue was compiled. Occasionally, due to the nature of some contractual restrictions, we are unable to ship a specific product to a particular territory. Jacket images are provisional and liable to change before publication.

 
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