THEORIES AND TECHNIQUES OF CRYSTAL STRUCTURE DETERMINATION INTERNATIONAL UNION OF CRYSTALLOGRAPHY MONOGRAPHS ON CRYSTALLOGRAPHY

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Theories And Techniques Of Crystal Structure Determination

Author : Uri Shmueli
ISBN : 019921350X
Genre : Science
File Size : 41.16 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.
Category: Science

Theories And Techniques Of Crystal Structure Determination

Author : Uri Shmueli
ISBN : 9780199213504
Genre : Science
File Size : 79.40 MB
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The book is a detailed but concise exposition of crystal structure determination at a graduate level. Discussions range from geometrical principles of crystallography, through relevant experimental methods, to techniques of reliable and accurate determination of crystal structures.
Category: Science

Structure Determination From Powder Diffraction Data

Author : William I. F. David
ISBN : 9780198500919
Genre : Science
File Size : 74.18 MB
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Our understanding of the properties of materials, from drugs and proteins to catalysts and ceramics, is almost always based on structural information. This book describes the new developments in the realm of powder diffraction which make it possible for scientists to obtain such information even from polycrystalline materials. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.
Category: Science

Crystal Structure Analysis

Author : Alexander J Blake
ISBN : 9780199219469
Genre : Science
File Size : 73.46 MB
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By choosing an approach that avoids undue emphasis on the mathematics involved, this book gives practical advice on topics such as growing crystals, solving and refining structures, and understanding and using the results.
Category: Science

Defect And Microstructure Analysis By Diffraction

Author : Robert L. Snyder
ISBN : 0198501897
Genre : Science
File Size : 85.68 MB
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'This book reviews the state of the art for determining the 'real' structure of matter' Zeitschrift Fur kristallographieThis book reviews the state of the art for determining the 'real' structure of matter. Nature does not stack atoms up in crystals in a perfect manner. Various types of 'mistakes' find their way into the arrangements of atoms in real crystals. These mistakes or defects determine the physical properties of a material and understanding them is critical to predicting a new materials properties. This book reviews the principal characterisation technique permitting us to measure the defect solid state: X-ray diffraction.
Category: Science

Crystal Structure Determination

Author : Werner Massa
ISBN : 9783662042489
Genre : Science
File Size : 77.71 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.
Category: Science

Introduction To Crystallographic Statistics

Author : Uri Shmueli
ISBN : 0198559267
Genre : Science
File Size : 49.57 MB
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Modern structural applications of crystallography make extensive use of statistical methods, in particular the probability density function (pdf) of the magnitude of the structure factor. Similarly, direct methods of phase determination have been responsible for much of the success of crystallography - methods based on properties of joint pdfs. This monograph, from two authorities in the field of structure factor statics, presents a survey of techniques and theories in this field of research in a self-contained and consistent way, with an emphasis on the probabilistic principles involved.
Category: Science

Aperiodic Crystals

Author : Ted Janssen
ISBN : 9780198567776
Genre : Science
File Size : 86.2 MB
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Most materials and crystals have an atomic structure which is described by a regular stacking of a microscopic fundamental unit, the unit cell. However, there are also many well ordered materials without such a unit cell. This book deals with the structure determination and a discussion of the main special properties of these materials.
Category: Science

Fundamentals Of Crystallography

Author : Carmelo Giacovazzo
ISBN : 0198555784
Genre : Crystallography
File Size : 86.39 MB
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Offers a rigorous treatment of the theory of crystallography and detailed descriptions of experimental applications in a wide range of sciences, including computational aspects, protein crystallography and crystal physics.
Category: Crystallography

Crystallography Of Modular Materials

Author : Giovanni Ferraris
ISBN : 9780191545870
Genre : Science
File Size : 49.9 MB
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This is the first book to provide a comprehensive treatment of theories and applications in the rapidly expanding field of the crystallography of modular materials. Molecules are the natural modules from which molecular crystalline structures are built. Most inorganic structures, however, are infinite arrays of atoms and some kinds of surrogate modules, e.g. co-ordination polyhedra, are usually used to describe them. In recent years the attention has been focused on complex modules as the basis for a systematic description of polytypes and homologous/polysomatic series (modular structures). This representation is applied to the modelling of unknown structures and understanding nanoscale defects and intergrowths in materials. The Order/Disorder (OD) theory is fundamental to developing a systematic theory of polytypism, dealing with those structures based on both ordered and disordered stacking of one or more layers. Twinning at both unit-cell and micro-scale, together with disorder, causes many problems, "demons", for computer-based methods of crystal structure determination. This book develops the theory of twinning with the inclusion of worked examples, converting the "demons" into useful indicators for unravelling crystal structure. In spite of the increasing use of the concepts of modular crystallography for characterising, understanding and tailoring technological crystalline materials, this is the first book to offer a unified treatment of the results, which are spread across many different journals and original papers published over the last twenty years.
Category: Science