Theories And Techniques Of Crystal Structure Determination
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Theories And Techniques Of Crystal Structure Determination
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Author : Uri Shmueli
language : en
Publisher: International Union of Crystal
Release Date : 2007-06-07
Theories And Techniques Of Crystal Structure Determination written by Uri Shmueli and has been published by International Union of Crystal this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-06-07 with Language Arts & Disciplines categories.
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 themethods 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 ofthe 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.
Symmetry Relationships Between Crystal Structures
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Author : Ulrich Müller
language : en
Publisher: Oxford University Press
Release Date : 2025-02-17
Symmetry Relationships Between Crystal Structures written by Ulrich Müller and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-17 with Science categories.
In crystal chemistry and crystal physics, the relations between the symmetry groups (space groups) of crystalline solids are of particular importance. Part I 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 II 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 the 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 chemical reactions in the solid state, to understand the formation of domains and twins in crystals, and to avoid errors in crystal structure determinations. Part III delves further into some specific topics, namely the isomorphic subgroups of space groups, the theory of phase transitions, and computer programs dedicated to crystallographic group theory. In this new edition, several topics have been extended to cover the latest scientific findings, a new chapter has been added dealing with pertinent computer programs, and references have been updated.
The Basics Of Crystallography And Diffraction
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Author : Christopher Hammond
language : en
Publisher: Oxford University Press
Release Date : 2015
The Basics Of Crystallography And Diffraction written by Christopher Hammond and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015 with Science categories.
This book provides a clear and very broadly based introduction to crystallography, light, X-ray and electron diffraction - a knowledge which is essential to students in a wide range of scientific disciplines but which is otherwise generally covered in subject-specific and more mathematically detailed texts. The text is also designed to appeal to the more general reader since it shows, by historical and biographical references, how the subject has developed from the work and insights of successive generations of crystallographers and scientists. The book shows how an understanding of crystal structures, both inorganic and organic may be built up from simple ideas of atomic and molecular packing. Beginning with (two dimensional) examples of patterns and tilings, the concepts of lattices, symmetry point and space groups are developed. 'Penrose' tilings and quasiperiodic structures are also included. The reciprocal lattice and its importance in understanding the geometry of light, X-ray and electron diffraction patterns is explained in simple terms, leading to Fourier analysis in diffraction, crystal structure determination, image formation and the diffraction-limited resolution in these techniques. Practical X-ray and electron diffraction techniques and their applications are described. A recurring theme is the common principles: the techniques are not treated in isolation. The fourth edition has been revised throughout, and includes new sections on Fourier analysis, Patterson maps, direct methods, charge flipping, group theory in crystallography, and a new chapter on the description of physical properties of crystals by tensors (Chapter 14).
Crystal Structure Analysis
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Author : Jenny Pickworth Glusker
language : en
Publisher: OUP Oxford
Release Date : 2010-05-27
Crystal Structure Analysis written by Jenny Pickworth Glusker and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-05-27 with Science categories.
This book aims to explain how and why the detailed three-dimensional architecture of molecules can be determined by an analysis of the diffraction patterns obtained when X rays or neutrons are scattered by the atoms in single crystals. Part 1 deals with the nature of the crystalline state, diffraction generally, and diffraction by crystals in particular, and, briefly, the experimental procedures that are used. Part II examines the problem of converting the experimentally obtained data into a model of the atomic arrangement that scattered these beams. Part III is concerned with the techniques for refining the approximate structure to the degree warranted by the experimental data. It also describes the many types of information that can be learned by modern crystal structure analysis. There is a glossary of terms used and several appendixes to which most of the mathematical details have been relegated.
Polymorphism In Molecular Crystals
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Author : Joel Bernstein
language : en
Publisher: OUP Oxford
Release Date : 2002-05-17
Polymorphism In Molecular Crystals written by Joel Bernstein and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-05-17 with Science categories.
Polymorphism - the multiplicity of structures or forms - is a term that is used in many disciplines. In chemistry it refers to the existence of more than one crystal structure for a particular chemical substance. The properties of a substance are determined by its composition and by its structure. In the last two decades, there has been a sharp rise in the interest in polymorphic systems, as an intrinsically interesting phenomenon and as an increasingly important component in the development and marketing of a variety of materials based on organic molecules (e.g. pharmaceuticals, dyes and pigments, explosives, etc.). This book summarizes and brings up to date the current knowledge and understanding of polymorphism of molecular crystals, and concentrates it in one comprehensive source. The book will be an invaluable reference for students, researchers, and professionals in the field.
Intermetallics
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Author : Walter Steurer
language : en
Publisher: Oxford University Press
Release Date : 2016-09-09
Intermetallics written by Walter Steurer and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-09-09 with Science categories.
The fascinating world of intermetallics is largely unexplored. There are many exciting physical properties and important technological applications of intermetallics, from magnetism to superconductivity. The main focus of this book is on the statistics, topology and geometry of crystal structures and structure types of intermetallic phases. The underlying physics, in particular chemical bonding, is discussed whenever it helps understand the stability of structures and the origin of their physical properties. The authors' approach, based on the statistical analysis of more than twenty thousand intermetallic compounds in the data base Pearson's Crystal Data, uncovers important structural relationships and illustrates the relative simplicity of most of the general structural building principles. It also shows that a large variety of actual structures can be related to a rather small number of aristotypes. The text aims to be readable and beneficial in one way or another to everyone interested in intermetallic phases, from graduate students to experts in solid state chemistry and physics, and materials science. For that purpose it avoids the use of enigmatic abstract terminology for the classification of structures. Instead, it focuses on the statistical analysis of crystal structures and structure types in order to draw together a larger overview of intermetallics, and indicate the gaps in it - areas still to be explored, and potential sources of worthwhile research. The text should be read as a reference guide to the incredibly rich world of intermetallic phases.
International Tables For Crystallography
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Author : Mois I. Aroyo
language : en
Publisher: John Wiley & Sons
Release Date : 2021-07-06
International Tables For Crystallography written by Mois I. Aroyo and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-07-06 with Science categories.
This sixth edition of what was previously known as the Brief Teaching Edition of Volume A provides an introduction to the basic crystallographic data for space groups found in Volume A, for symmetry relations between space groups in Volume A1 and for subperiodic groups in Volume E of International Tables for Crystallography, to magnetic space groups and to the symmetry database that forms part of International Tables Online at https://it.iucr.org. It is designed for graduate students and young researchers who are new to the field of crystallographic symmetry, and includes many illustrative examples to help readers to understand and use these different kinds of information. Selected tables of symmetry data from the full volumes in the series are also included, making this a handy aid for classroom teaching. References are also provided to further specialized sources for those who need to go deeper into the subject and to textbooks for those who need more background information.
Modern Techniques Of Surface Science
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Author : D. P. Woodruff
language : en
Publisher: Cambridge University Press
Release Date : 1994-03-03
Modern Techniques Of Surface Science written by D. P. Woodruff and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-03-03 with Science categories.
This is a fully revised and expanded edition of a very successful and widely used book. It describes the physical basis of all the principal, and most of the more specialised, techniques currently employed in the study of well-characterised solid surfaces. The coverage of each technique, illustrated with selected examples, is underpinned by discussion of the relevant physical principles, and the complementary aspects of the various methods are also described. Throughout, the emphasis is on understanding the concepts involved, rather than on an exhaustive review of applications. The book will be of great use to final year undergraduate and postgraduate students in physics, chemistry and materials science. It will also be valuable to established researchers in any area of surface science concerned with the acquisition and analysis of experimental data.
Phasing In Crystallography
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Author : Carmelo Giacovazzo
language : en
Publisher: Oxford University Press, USA
Release Date : 2014
Phasing In Crystallography written by Carmelo Giacovazzo and has been published by Oxford University Press, USA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014 with Science categories.
The book describes phasing techniques in modern crystallography. The main text is dedicated to their simple description, and further mathematical details are contained in the appendices. Practical aspects are described for each specific method, making it a useful tool for the daily work of practising crystallographers.
Structures On Different Time Scales
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Author : Theo Woike
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2018-03-05
Structures On Different Time Scales written by Theo Woike and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-03-05 with Science categories.
Volume 1 of this work presents theory and methods to study the structure of condensed matter on different time scales. The authors cover the structure analysis by X-ray diffraction methods from crystalline to amorphous materials, from static-relaxed averaged structures to short-lived electronically excited structures, including detailed descriptions of the time-resolved experimental methods. Complementary, an overview of the theoretical description of condensed matter by static and time-dependent density functional theory is given, starting from the fundamental quantities that can be obtained by these methods through to the recent challenges in the description of time dependent phenomena such as optical excitations. Contents Static structural analysis of condensed matter: from single-crystal to amorphous DFT calculations of solids in the ground state TDDFT, excitations, and spectroscopy Time-resolved structural analysis: probing condensed matter in motion Ultrafast science