crystal structure refinement a crystallographer s guide to shelxl international union of crystallography texts on crystallography

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Crystal Structure Refinement

Author : Peter Muller
ISBN : 9780198570769
Genre : Science
File Size : 27. 83 MB
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Accompanying CD-ROM contains all the files necessary to reproduce the refinements covered in the text.

Crystal Structure Determination

Author : Werner Massa
ISBN : 9783662042489
Genre : Science
File Size : 20. 75 MB
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A concise introduction to modern crystal structure determination, emphasizing both the crystallographic background and the successive practical steps. In the theoretical sections, more importance is attached to a good understanding, than to a rigorous mathematical treatment. The most important measuring techniques, including the use of modern area detectors, and the methods of data reduction, structure solution and refinement are discussed from a practical point of view. Special emphasis is put on the ability to recognize and avoid possible errors and traps, and to judge the quality of results.

Theories And Techniques Of Crystal Structure Determination

Author : Uri Shmueli
ISBN : 019921350X
Genre : Science
File Size : 38. 93 MB
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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.

The Basics Of Crystallography And Diffraction

Author : Christopher Hammond
ISBN : 9780191567711
Genre : Science
File Size : 65. 76 MB
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This book provides a clear introduction to topics which are essential to students in a wide range of scientific disciplines but which are otherwise only covered in specialised and mathematically detailed texts. It shows how crystal structures may be built up from simple ideas of atomic packing and co-ordination, it develops the concepts of crystal symmetry, point and space groups by way of two dimensional examples of patterns and tilings, it explains the concept of the reciprocal lattice in simple terms and shows its importance in an understanding of light, X-ray and electron diffraction. Practical examples of the applications of these techniques are described and also the importance of diffraction in the performance of optical instruments. The book is also of value to the general reader since it shows, by biographical and historical references, how the subject has developed and thereby indicates some of the excitement of scientific discovery.

Crystal Structure Determination

Author : William Clegg
ISBN : 0198559011
Genre : Language Arts & Disciplines
File Size : 80. 17 MB
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This concise text describes the basic principles of crystal structure determination by X-ray diffraction and the application of these principles in practice. The technique is presented step-by-step and illustrated with a wide range of case studies, including the use of the most up-to-date equipment. Crystal Structure Determination explains how X-ray crystallography fits in with modern chemistry, why it is important, and what it can do, with the aim of enabling the reader to understand and assess structural results in books and research journals. There is additional coverage of related topics such as neutron diffraction and the application of computer databases. Mathematical treatment is kept at a relatively low level and is complemented by extensive illustrations and worked examples. This clear introduction to the topic will be an essential text for chemistry undergraduates. Other related science undergraduates (biochemists, environmental scientists, etc.) and postgraduate chemists will also find this book useful.

Structure Determination By X Ray Crystallography

Author : Mark Ladd
ISBN : 9781461439547
Genre : Science
File Size : 33. 86 MB
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The advances in and applications of x-ray and neutron crystallography form the essence of this new edition of this classic textbook, while maintaining the overall plan of the book that has been well received in the academic community since the first edition in 1977. X-ray crystallography is a universal tool for studying molecular structure, and the complementary nature of neutron diffraction crystallography permits the location of atomic species in crystals which are not easily revealed by X-ray techniques alone, such as hydrogen atoms or other light atoms in the presence of heavier atoms. Thus, a chapter discussing the practice of neutron diffraction techniques, with examples, broadens the scope of the text in a highly desirable way. As with previous editions, the book contains problems to illustrate the work of each chapter, and detailed solutions are provided. Mathematical procedures related to the material of the main body of the book are not discussed in detail, but are quoted where needed with references to standard mathematical texts. To address the computational aspect of crystallography, the suite of computer programs from the fourth edition has been revised and expanded. The programs enable the reader to participate fully in many of the aspects of x-ray crystallography discussed in the book. In particular, the program system XRAY* is interactive, and enables the reader to follow through, at the monitor screen, the computational techniques involved in single-crystal structure determination, albeit in two dimensions, with the data sets provided. Exercises for students can be found in the book, and solutions are available to instructors.

Crystallography

Author : Christian Bök
ISBN : 1552451194
Genre : Science
File Size : 21. 1 MB
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Crystallography is the mineral science whose name means 'lucid writing.' Long out of print, but now available again in an elegant revised edition, this extraordinary work of avant-garde literature explores the boundary between science and poetry, suggesting that to write with clarity in either discipline involves the most intense thought, much like an act of 'lucid dreaming.' The book reveals that, within the sediment of everyday language, poems are the crystalline formations. -- Back cover.

Crystal Structure Analysis

Author : William Clegg
ISBN : 019850618X
Genre : Science
File Size : 82. 96 MB
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'This textbook should definitely be considered for use in introductory courses in X-ray structure determination as it provides a good framework for course organisation. 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 organisation of material and is filled with many illustrative examples of the subject matter.' -Acta CrystallographicaThis book provides a comprehensive and easy to use introduction to fundamental theory and techniques of structure analysis by X-ray diffraction. It will be an invaluable reference to X-ray crystallographers, practitioners of X-ray analysis and all those involved in materials characterization.

Symmetry Relationships Between Crystal Structures

Author : Ulrich Müller
ISBN : 9780191648809
Genre : Science
File Size : 35. 20 MB
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In crystal chemistry and crystal physics, the relations between the symmetry groups (space groups) of crystalline solids are of special importance. Part 1 of this book presents the necessary mathematical foundations and tools: the fundamentals of crystallography with special emphasis on symmetry, the theory of the crystallographic groups, and the formalisms of the needed crystallographic computations. Part 2 gives an insight into applications to problems in crystal chemistry. With the aid of numerous examples, it is shown how crystallographic group theory can be used to make evident relationships between crystal structures, to set up a systematic order in the huge amount of known crystal structures, to predict crystal structures, to analyse phase transitions and topotactic reactions in the solid state, to understand the formation of domains and twins in crystals, and to avoid errors in crystal structure determinations. A broad range of end-of-chapter exercises offers the possibility to apply the learned material. Worked-out solutions to the exercises can be found at the end of the book.

Electron Crystallography

Author : Xiaodong Zou
ISBN : 9780199580200
Genre : Science
File Size : 65. 65 MB
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Includes bibliographical references and index.

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