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| crystallography download: Structure Determination by X-Ray Crystallography M. F. C. Ladd, 2012-12-06 Crystallography may be described as the science of the structure of materi als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain mathematical results are assumed in order that their applications may be discussed. At the end of each chapter, a short bibliog raphy is given, which may be used to extend the scope of the treatment given here. In addition, reference is made in the text to specific sources of information. We have chosen not to discuss experimental methods extensively, as we consider that this aspect of crystallography is best learned through practical experience, but an attempt has been made to simulate the interpretive side of experimental crystallography in both examples and exercises. |
| crystallography download: Structure of Materials Marc De Graef, Michael E. McHenry, 2012-10-08 A new edition of the highly readable textbook applying the fundamentals of crystallography, symmetry and diffraction to a range of materials. |
| crystallography download: Crystallography of Quasicrystals Steurer Walter, Sofia Deloudi, 2009-08-26 From tilings to quasicrystal structures and from surfaces to the n-dimensional approach, this book gives a full, self-contained in-depth description of the crystallography of quasicrystals. It aims not only at conveying the concepts and a precise picture of the structures of quasicrystals, but it also enables the interested reader to enter the field of quasicrystal structure analysis. Going beyond metallic quasicrystals, it also describes the new, dynamically growing field of photonic quasicrystals. The readership will be graduate students and researchers in crystallography, solid-state physics, materials science, solid- state chemistry and applied mathematics. |
| crystallography download: Introduction to Crystallography Frank Hoffmann, 2020-07-31 This book invites you on a systematic tour through the fascinating world of crystals and their symmetries. The reader will gain an understanding of the symmetry of external crystal forms (morphology) and become acquainted with all the symmetry elements needed to classify and describe crystal structures. The book explains the context in a very vivid, non-mathematical way and captivates with clear, high-quality illustrations. Online materials accompany the book; including 3D models the reader can explore on screen to aid in the spatial understanding of the structure of crystals. After reading the book, you will not only know what a space group is and how to read the International Tables for Crystallography, but will also be able to interpret crystallographic specifications in specialist publications. If questions remain, you also have the opportunity to ask the author on the book's website. |
| crystallography download: Protein Crystallography Alexander Wlodawer, Zbigniew Dauter, Mariusz Jaskolski, 2017-06-02 This volume provides methods for modern macromolecular crystallography, including all steps leading to crystal structure determination and analysis. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, Protein Crystallography aims to ensure successful results in the further study of this vital field. |
| crystallography download: X-Ray Diffraction Crystallography Yoshio Waseda, Eiichiro Matsubara, Kozo Shinoda, 2011-03-18 X-ray diffraction crystallography for powder samples is a well-established and widely used method. It is applied to materials characterization to reveal the atomic scale structure of various substances in a variety of states. The book deals with fundamental properties of X-rays, geometry analysis of crystals, X-ray scattering and diffraction in polycrystalline samples and its application to the determination of the crystal structure. The reciprocal lattice and integrated diffraction intensity from crystals and symmetry analysis of crystals are explained. To learn the method of X-ray diffraction crystallography well and to be able to cope with the given subject, a certain number of exercises is presented in the book to calculate specific values for typical examples. This is particularly important for beginners in X-ray diffraction crystallography. One aim of this book is to offer guidance to solving the problems of 90 typical substances. For further convenience, 100 supplementary exercises are also provided with solutions. Some essential points with basic equations are summarized in each chapter, together with some relevant physical constants and the atomic scattering factors of the elements. |
| crystallography download: Crystallography Walter Borchardt-Ott, 2011-08-31 As a self-study guide, course primer or teaching aid, Borchardt-Ott's Crystallography is the perfect textbook for students and teachers alike. In fact, it can be used by crystallographers, chemists, mineralogists, geologists and physicists. Based on the author's more than 25 years of teaching experience, the book has numerous line drawings designed especially for the text and a large number of exercises - with solutions - at the end of each chapter. This 3rd edition is the translation of the seventh German edition with new chapters focused on crystal chemistry and x-ray diffraction methods. |
| crystallography download: International Tables for Crystallography, Definition and Exchange of Crystallographic Data Sydney R. Hall, Brian McMahon, 2005-08-19 International Tables for Crystallography Volume G, Definition and exchange of crystallographic data, describes the standard data exchange and archival file format (the Crystallographic Information File, or CIF) used throughout crystallography. It provides in-depth information vital for small-molecule, inorganic and macromolecular crystallographers, mineralogists, chemists, materials scientists, solid-state physicists and others who wish to record or use the results of a single-crystal or powder diffraction experiment. The volume also provides the detailed data ontology necessary for programmers and database managers to design interoperable computer applications. The accompanying CD-ROM contains the CIF dictionaries in machine-readable form and a collection of libraries and utility programs. This volume is an essential guide and reference for programmers of crystallographic software, data managers handling crystal-structure information and practising crystallographers who need to use CIF. |
| crystallography download: Principles of Protein X-ray Crystallography Jan Drenth, 2013-03-09 New textbooks at all levels of chemistry appear with great regularity. Some fields such as basic biochemistry, organic reaction mechanisms, and chemical thermodynamics are well represented by many excellent texts, and new or revised editions are published sufficiently often to keep up with progress in research. However, some areas of chemistry, especially many of those taught at the graduate level, suffer from a real lack of up to-date textbooks. The most serious needs occur in fields that are rapidly changing. Textbooks in these subjects usually have to be written by scientists actually involved in the research that is advancing the field. It is not often easy to persuade such individuals to set time aside to help spread the knowledge they have accumulated. Our goal, in this series, is to pinpoint areas of chemistry where recent progress has outpaced what is covered in any available textbooks, and then seek out and persuade experts in these fields to produce relatively concise but instructive intro ductions to their fields. These should serve the needs of one-semester or one-quarter graduate courses in chemistry and biochemistry. In some cases, the availability of texts in active research areas should help stimulate the creation of new courses. Charles R. Cantor v Preface to the Second Edition Since the publication of the previous edition in 1994, X-ray crystallography of proteins has advanced by improvements in existing techniques and by addition of new techniques. |
| crystallography download: Engineering Crystallography: From Molecule to Crystal to Functional Form Kevin J. Roberts, Robert Docherty, Rui Tamura, 2017-07-18 This book highlights the current state-of-the-art regarding the application of applied crystallographic methodologies for understanding, predicting and controlling the transformation from the molecular to crystalline state with the latter exhibiting pre-defined properties. This philosophy is built around the fundamental principles underpinning the three inter-connected themes of Form (what), Formation (how) and Function (why). Topics covered include: molecular and crystal structure, chirality and ferromagnetism, supramolecular assembly, defects and reactivity, morphology and surface energetics. Approaches for preparing crystals and nano-crystals with novel physical, chemical and mechanical properties include: crystallisation, seeding, phase diagrams, polymorphic control, chiral separation, ultrasonic techniques and mechano-chemistry. The vision is realised through examination of a range of advanced analytical characterisation techniques including in-situ studies. The work is underpinned through an unprecedented structural perspective of molecular features, solid-state packing arrangements and surface energetics as well as in-situ studies. This work will be of interest to researchers, industrialists, intellectual property specialists and policy makers interested in the latest developments in the design and supply of advanced high added-value organic solid-form materials and product composites. |
| crystallography download: Handbook of Crystallography Allen G. Jackson, 2012-12-06 This book resulted from a series of frustrations. Analytical electron microscopy requires exactly what its name implies: quantitative information to conduct an analysis. The frustrations arose when I started hunting for specific forms of equations in a form understandable to a non-crystaHographer, for definitions of subtle concepts related to crystallography, for intelligible interpretations of space group symbols and their significance. What I frequently discovered was that such information was buried in a giant tome and couched in terms familiar to crystallographers but not to electron microscopists in general, or it was located in an old reference not available in my library, or it was found in an out-of-print book, or it was in a Russian book no longer available, etc. So to minimize the frustrations, I started a notebook containing the details, particularly after I had found forms of equations useful for quick calculations or equations in a form useful for proving, doing, or extending calculations found in a reference. The resulting notebook grew to a respectable size, requiring some organizing of the contents. Finally, the size became large enough, and has proven useful enough, to produce the notebook as a book. |
| crystallography download: Elements of Crystallography George Huntington Williams, 1892 |
| crystallography download: Introduction to Crystallography Donald E. Sands, 2012-06-14 Clear, concise explanation of logical development of basic crystallographic concepts. Topics include crystals and lattices, symmetry, x-ray diffraction, and more. Problems, with answers. 114 illustrations. 1969 edition. |
| crystallography download: Quantum Crystallography: Expectations vs Reality Piero Macchi, 2022-03-05 This book explores the potential of quantum crystallography. The field accompanied the major milestones of x-ray diffraction and it has undergone a rapid evolution in the past few years. For this reason, some reflections are necessary in order to scrutinize the next steps and anticipate the future developments. After a short survey of the historical background and in depth description of the state of the art, some examples are provided of current and future applications of the know-how in this discipline. This implies attracting readership of both experts in the field and neophytes. The former will test their own views with the one exposed in the book; the newcomers, instead, will learn both what has been done and what could be done with quantum crystallography. |
| crystallography download: Crystallography and the World of Symmetry Sanat K. Chatterjee, 2008-09-19 Symmetry exists in realms from crystals to patterns, in external shapes of living or non-living objects, as well as in the fundamental particles and the physical laws that govern them. In fact, the search for this symmetry is the driving force for the discovery of many fundamental particles and the formulation of many physical laws. While one can not imagine a world which is absolutely symmetrical nor can one a world which is absolutely asymmetrical. These two aspects of nature are intermingled with each other inseparably. This is the basis of the existence of aperiodicity manifested in the liquid crystals and also quasi-crystals also discussed in “Crystallography and the World of Symmetry”. |
| crystallography download: Foundations of Crystallography with Computer Applications Maureen M. Julian, Carla Slebodnick, Francis T. Julian, 2024-11-29 The third edition of Foundations of Crystallography with Computer Applications is a textbook for undergraduate and graduate students studying the solid state in chemistry, physics, materials science, geological sciences, and engineering. It takes a straightforward, logical approach to explaining how atoms are arranged in crystals and how crystal systems are related to each other. New to this edition is the inclusion of interactive Starter Programs in Python, which allow the students to focus on concepts and not treat crystallographic programs as black boxes. Since many students have trouble visualizing three dimensional constructions, this book begins with detailed discussions in two dimensions leading up to the three-dimensional understanding. The first seven chapters introduce the fundamental principles, Chapter 8 suggests student projects, and the final seven chapters give detailed examples of the seven crystal systems. Key features: Uses Python, the leading open-source scientific language, with libraries including NumPy for matrix manipulations, Matplotlib for graphics, and Mplot3d for interactive 3-D modeling. Provides a gentle introduction to Python with Jupyter Notebooks, which combine interactive code and formatted documentation. Color codes both point group and space group diagrams using a new scheme devised by the author to emphasize the change of handedness of the symmetry operations and their consequences. Suggests student projects with data that can be found in the free Teaching Subset of the Cambridge Structural Database, the American Mineralogist Crystal Structure Database, and others. This book’s thorough but accessible style gives students a strong foundation in the subject. Over one thousand students have successfully used this book at Virginia Tech, and many more will continue to benefit from this new edition. |
| crystallography download: Protein Crystallography in Drug Discovery, Volume 20 Robert E. Babine, Sherin S. Abdel-Meguid, 2004-02-13 The rational, structure-based approach has become standard in present-day drug design. As a consequence, the availability of high-resolution structures of target proteins is more often than not the basis for an entire drug development program. Protein structures suited for rational drug design are almost exclusively derived from crystallographic studies, and drug developers are relying heavily on the power of this method. Here, researchers from leading pharmaceutical companies present valuable first-hand information, much of it published for the first time. They discuss strategies to derive high-resolution structures for such important target protein classes as kinases or proteases, as well as selected examples of successful protein crystallographic studies. A special section on recent methodological developments, such as for high-throughput crystallography and microcrystallization, is also included. A valuable companion for crystallographers involved in protein structure determination as well as drug developers pursuing the structure-based approach for use in their daily work. |
| crystallography download: Crystallography and Crystal Chemistry of Materials with Layered Structures F.A. Lévy, 2012-12-06 In the last ten years, the chemistry and physics of materials with layered structures became an intensively investigated field in the study of the solid state. Research into physical properties of these crystals and especially investigations of their physical anisotropy related to the structural anisotropy has led to remarkable and perplexing results. Most of the layered materials exist in several polytypic modifications and can include stacking faults. The crystal structures are therefore complex and it became apparent that there was a great need for a review of the crystallographic data of materials approximating two-dimensional solids. This second volume in the series 'Physics and Chemistry of Materials with Layered Structures' has been written by specialists of different classes of layered materials. Structural data are reviewed and the most important relations between the structure and the chemical and physical properties are emphasized. The first three contributions are devoted to the transition metal dichalcogenides whose physical properties have been investigated in detail. The crystallographic data and crystal growth conditions are presented in the first paper. The second paper constitutes an incisive review of the phase transformations and charge density waves which have been observed in the metallic dichalcogenides. In two contributions the layered structures of newer ternary compounds are de scribed and the connection between structure and non-stoichiometry is discussed. |
| crystallography download: An Introduction to X-ray Crystallography Michael M. Woolfson, 1997-01-13 A textbook for the senior undergraduate or graduate student beginning a serious study of X-ray crystallography. It will be of interest both to those intending to become professional crystallographers and to those physicists, chemists, biologists, geologists, metallurgists and others who will use it as a tool in their research. All major aspects of crystallography are covered--the geometry of crystals and their symmetry, theoretical and practical aspects of diffracting X-rays by crystals and how the data may be analyzed to find the symmetry of the crystal and its structure. Includes recent advances such as the synchrotron as a source of X-rays, methods of solving structures from power data and the full range of techniques for solving structures from single-crystal data. Computer programs are provided for carrying out many operations of data-processing and solving crystal structures including by direct methods. These programs are required for many of the examples given at the end of each chapter but can be used to create new examples by which students can test themselves or each other. |
| crystallography download: Macromolecular Crystallography Protocols, Volume 2 Sylvie Doublie, 2008-02-05 In the decade since publication of the first edition this book, the field has seen several major developments. These developments have both accelerated the pace of structure determination and made crystallography accessible to a broader range of investigators. Volume I is dedicated to crystallization and ways to increase the odds of obtaining crystals in macromolecules. Volume 2 covers both computational methods for characterizing crystals and solving structures. |
| crystallography download: Crystallography Misao Hokkaido, 2012 The science of the arrangement of atoms in solids is known as crystallography. In single crystals, the effects of the crystalline arrangement of atoms is often easy to see macroscopically, because the natural shapes of crystals reflect the atomic structure. In addition, physical properties are often controlled by crystalline defects. The understanding of crystal structures is an important prerequisite for understanding crystallographic defects. Topics discussed in this new book include in situ protein crystal diffraction screening; structures and properties of 3D-4F and 3D chiral Schiff base complexes; crystal dehydration techniques; case studies on crystal structure determination involving H atoms; and cleavage fracture crystallography. |
| crystallography download: Modern Crystallography III A.A. Chernov, 2011-12-08 Early in this century, the newly discovered x-ray diffraction by crystals made a complete change in crystallography and in the whole science of the atomic structure of matter, thus giving a new impetus to the development of solid-state physics. Crystallographic methods, pri marily x-ray diffraction analysis, penetrated into materials sciences, mol ecular physics, and chemistry, and also into many other branches of science. Later, electron and neutron diffraction structure analyses be came important since they not only complement x-ray data, but also supply new information on the atomic and the real structure of crystals. Electron microscopy and other modern methods of investigating mat ter-optical, electronic paramagnetic, nuclear magnetic, and other res onance techniques-yield a large amount of information on the atomic, electronic, and real crystal structures. Crystal physics has also undergone vigorous development. Many re markable phenomena have been discovered in crystals and then found various practical applications. Other important factors promoting the development of crystallog raphy were the elaboration of the theory of crystal growth (which brought crystallography closer to thermodynamics and physical chem istry) and the development of the various methods of growing synthetic crystals dictated by practical needs. Man-made crystals became increas ingly important for physical investigations, and they rapidly invaded technology. The production . of synthetic crystals made a tremendous impact on the traditional branches: the mechanical treatment of mate rials, precision instrument making, and the jewelry industry. |
| crystallography download: Crystallographic Texture of Materials Satyam Suwas, Ranjit Kumar Ray, 2016-09-10 Providing a comprehensive and invaluable overview of the basics of crystallographic textures and their industrial applications, this book covers a broad range of both structural and functional materials. It introduces the existing methods of representation in an accessible manner and presents a thorough overview of existing knowledge on texture of metallic materials. Texture analysis has widespread use in many industries, and provides crucial input towards the development of new materials and products. There has been rapid growth in the science and art of texture analysis in the last few decades. Other topics addressed within this book include recent research on texture in thin films and non-metals, and the dependence of material properties on texture, and texture control in some engineering materials. This book constitutes an invaluable reference text for researchers and professionals working on texture analysis in metallurgy, materials science and engineering, physics and geology. By using content selectively, it is also highly accessible to undergraduate students. |
| crystallography download: Materials Informatics Olexandr Isayev, Alexander Tropsha, Stefano Curtarolo, 2019-08-14 Provides everything readers need to know for applying the power of informatics to materials science There is a tremendous interest in materials informatics and application of data mining to materials science. This book is a one-stop guide to the latest advances in these emerging fields. Bridging the gap between materials science and informatics, it introduces readers to up-to-date data mining and machine learning methods. It also provides an overview of state-of-the-art software and tools. Case studies illustrate the power of materials informatics in guiding the experimental discovery of new materials. Materials Informatics: Methods, Tools and Applications is presented in two parts?Methodological Aspects of Materials Informatics and Practical Aspects and Applications. The first part focuses on developments in software, databases, and high-throughput computational activities. Chapter topics include open quantum materials databases; the ICSD database; open crystallography databases; and more. The second addresses the latest developments in data mining and machine learning for materials science. Its chapters cover genetic algorithms and crystal structure prediction; MQSPR modeling in materials informatics; prediction of materials properties; amongst others. -Bridges the gap between materials science and informatics -Covers all the known methodologies and applications of materials informatics -Presents case studies that illustrate the power of materials informatics in guiding the experimental quest for new materials -Examines the state-of-the-art software and tools being used today Materials Informatics: Methods, Tools and Applications is a must-have resource for materials scientists, chemists, and engineers interested in the methods of materials informatics. |
| crystallography download: The Essence Of Crystallography Mark Ladd, 2019-11-19 'To summarise, Professor Ladd has written a highly engaging text designed to provide the underlying principles of crystal structure determination through X-ray diffraction data. This text would be most appropriate for an early stage postgraduate or researcher interested in learning both the underlying principles of crystallography and gaining some practice with structure-solving software.'Contemporary PhysicsDesigned for those who wish to understand and engage with the principles behind the process of crystal structure determination by X-ray diffraction, this title contains a comprehensive series of chapters, each of which concludes with a set of problems, for which solutions are provided. An ideal resource for senior undergraduates and early-stage postgraduates, The Essence of Crystallography has an accompanying website with programs written for the text, including an interactive simulation of crystal structure determination using prepared intensity data sets. |
| crystallography download: Crystallography in Materials Science Susan Schorr, Claudia Weidenthaler, 2021-07-05 The knowledge about crystal structure and its correlation with physical properties is the prerequisite for designing new materials with taylored properties. This work provides for researchers and graduates a valuable resource on various techniques for crystal structure determinations. By discussing a broad range of different materials and tools the authors enable the understanding of why a material might be suitable for a particular application. |
| crystallography download: Introduction to Crystal Growth and Characterization Klaus-Werner Benz, Wolfgang Neumann, 2014-07-28 This new textbook provides for the first time a comprehensive treatment of the basics of contemporary crystallography and crystal growth in a single volume. The reader will be familiarized with the concepts for the description of morphological and structural symmetry of crystals. The architecture of crystal structures of selected inorganic and molecular crystals is illustrated. The main crystallographic databases as data sources of crystal structures are described. Nucleation processes, their kinetics and main growth mechanism will be introduced in fundamentals of crystal growth. Some phase diagrams in the solid and liquid phases in correlation with the segregation of dopants are treated on a macro- and microscale. Fluid dynamic aspects with different types of convection in melts and solutions are discussed. Various growth techniques for semiconducting materials in connection with the use of external field (magnetic fields and microgravity) are described. Crystal characterization as the overall assessment of the grown crystal is treated in detail with respect to - crystal defects - crystal quality - field of application Introduction to Crystal Growth and Characterization is an ideal textbook written in a form readily accessible to undergraduate and graduate students of crystallography, physics, chemistry, materials science and engineering. It is also a valuable resource for all scientists concerned with crystal growth and materials engineering. |
| crystallography download: Crystallography for Chemists Phillip E. Fanwick, 2019-05-03 For the last fifty years, X-ray crystallography and allied methods have been one of the most important analytical techniques for chemical analysis. With improved equipment, computers, and programs, the time required for such determinations has been reduced from months to hours. However, crystallography has never found its way into chemical education. There are many reasons for this failure, but the result has been most chemists having little understanding of the method beyond operating equipment and running black box programs. This book provides a basic education on crystallographic methods. As much as possible, it is non-mathematical, and written in language that chemists use. It is designed for the instruction of senior undergraduate students and beginning graduate students, but will also be of interest to any chemist who has had no instruction in crystallography. Much of the book provides information that can be used by chemists who do not plan to conduct crystallographic studies themselves. |
| crystallography download: An introduction to crystallography Frank C. Phillips, 1966 |
| crystallography download: Crystallography Made Crystal Clear Gale Rhodes, 2012-12-02 Crystallography Made Crystal Clear is designed to meet the need for an X-ray analysis that is between brief textbook sections and complete treatments. The book provides non-crystallographers with an intellectually satisfying explanation of the principles of how protein models are gleaned from X-ray analysis. The understanding of these concepts will foster wise use of the models, including the recognition of the strengths and weaknesses of pictures or computer graphics. Since proteins comprise the majority of the mass of macromolecules in cells and carry out biologically important tasks, the book will be of interest to biologists.Provides accessible descriptions of principles of x-ray crystallography, built on simple foundations for anyone with a basic science backgroundLeads the reader through clear, thorough, unintimidating explanations of the mathematics behind crystallographyExplains how to read crystallography papers in research journalsIf you use computer-generated models of proteins or nucleic acids for:Studying molecular interactionsDesigning ligands, inhibitors, or drugsEngineering new protein functionsInterpreting chemical, kinetic, thermodynamic, or spectroscopic dataStudying protein foldingTeaching macromolecule structure,and if you want to read new structure papers intelligently; become a wiser user of macromolecular models; and want to introduce undergraduates to the important subject of x-ray crystallography, then this book is for you. |
| crystallography download: Macromolecular Crystallography Mark R. Sanderson, Jane V. Skelly, 2007-08-23 Macromolecular crystallography is the study of macromolecules using X-ray crystallographic techniques to determine their molecular structure. This title synthesises contributions from a team of internationally recognized leaders, offering chapters on conventional and high-throughput methods. |
| crystallography download: Geometry of Crystals, Polycrystals, and Phase Transformations Harshad K. D. H. Bhadeshia, 2017-09-05 Organized into a two-part structure aimed at readers of differing experience levels, Geometry of Crystals, Polycrystals, and Phase Transformations is accessible to both newcomers and advanced researchers within the field of crystallography. The first part of the text covers what any reader in the material sciences, physics, chemistry, earth sciences and natural sciences in general should know about crystallography. It is intentionally concise and covers sufficient material to form a firm foundation. The second part is aimed at researchers and discusses phase transformations, deformations, and interface crystallography in depth. The phase transformations are limited to those dominated by crystallography. The entire book contains worked examples and uniquely deals not just with crystals but aggregates of crystals and solid-state transformations between crystals. |
| crystallography download: Crystallography and Crystal Defects Anthony Kelly, G. W. Groves, P. Kidd, 2000-04-17 Crystallography and Crystal Defects Revised Edition A. Kelly, Churchill College, Cambridge, UK G. W. Groves, Exeter College, Oxford, UK and P. Kidd, Queen Mary and Westfield College, University of London, UK The concepts of crystallography are introduced here in such a way that the physical properties of crystals, including their mechanical behaviour, can be better understood and quantified. A unique approach to the treatment of crystals and their defects is taken in that the often separate disciplines of crystallography, tensor analysis, elasticity and dislocation theory are combined in such a way as to equip materials scientists with knowledge of all the basic principles required to interpret data from their experiments. This is a revised and updated version of the widely acclaimed book by Kelly and Groves that was first published nearly thirty years ago. The material remains timely and relevant and the first edition still holds an unrivalled position at the core of the teaching of crystallography and crystal defects today. Undergraduate readers will acquire a rigorous grounding, from first principles, in the crystal classes and the concept of a lattice and its defects and their descriptions using vectors. Researchers will find here all the theorems of crystal structure upon which to base their work and the equations necessary for calculating interplanar spacings, transformation of indices and manipulations involving the stereographic projection and transformations of tensors and matrices. |
| crystallography download: Symmetry, Spectroscopy, and Crystallography Robert Glaser, 2015-10-05 Written in a clear and understandable manner, this book provides a comprehensive, yet non-mathematical, treatment of the topic, covering the basic principles of symmetry and the important spectroscopic techniques used to probe molecular structure. The chapters are extensively illustrated and deal with such topics as symmetry elements, operations and descriptors, symmetry guidelines, high-fidelity pseudosymmetry, crystallographic symmetry, molecular gears, and experimental techniques, including X-ray crystallography and NMR spectroscopy. As an additional feature, 3D animations of most of the structures and molecules covered are available online at wiley.com. As a result, chemists learn how to understand and predict molecular structures and reactivity. Authored by a renowned expert with numerous publications and an excellent track record in research and teaching, this is a useful source for graduate students and researchers working in the field of organic synthesis, physical chemistry, biochemistry, and crystallography, while equally serving as supplementary reading for courses on stereochemistry, organic synthesis, or crystallography. |
| crystallography download: Crystallography and Surface Structure Klaus Hermann, 2011-04-08 In den Oberflächen- und Nanowissenschaften ist ein fundiertes Verständnis lokaler Geometrie und Symmetrie von Kristallen und deren Oberflächen von entscheidender Bedeutung, da die Kristallstruktur viele physikalische und chemische Parameter mitbestimmt. Studenten und Forscher in Physik, Chemie und Materialwissenschaften erhalten hierzu mit dem vorliegenden Buch sowohl eine wertvolle Einführung wie auch ein nützliches Nachschlagewerk. Das Buch führt insbesondere scheinbar disparate Beschreibungen und Notationen zusammen, die ständig von Oberflächen- und Nanowissenschaftlern benötigt werden. Professor Hermann ist als Wissenschaftler im Bereich der theoretischen Oberflächenphysik ausgewiesen und bekannt als Koautor der NIST Surface Structure Database (SSD), einer absoluten Referenz in der Struktur- und Oberflächenwissenschaft. Seine Arbeiten zur Oberflächenvisualisierung dokumentiert er auch in diesem Buch, in dem aufwändige Grafiken der zahlreichen Beispiele die mathematisch formal gewählte Herangehensweise illustrieren. Übungen mit unterschiedlichem Schwierigkeitsgrad - von einfachen Fragen bis zu kleinen Forschungsprojekten - regen die Diskussion zu den unterschiedlichen Themen an. |
| crystallography download: Neutron Crystallography in Structural Biology , 2020-02-24 Neutron Crystallography in Structural Biology, Volume 634, the latest volume in the Methods in Enzymology series, continues the legacy of this premier serial with quality chapters authored by leaders in the field. Chapters in this updated release include Fundamentals of neutron crystallography in structural biology, Large crystal growth for neutron protein crystallography, Prospects for membrane protein crystals in NMX, IMAGINE: The neutron protein crystallography beamline at the high flux isotope reactor, The macromolecular neutron diffractometer at the spallation neutron source, Current status and near future plan of neutron protein crystallography at J-PARC, Neutron macromolecular crystallography at the European spallation source, and much more. |
| crystallography download: NMR Crystallography Robin K. Harris, Roderick E. Wasylishen, Melinda J. Duer, 2012-12-19 The content of this volume has been added to eMagRes (formerly Encyclopedia of Magnetic Resonance) - the ultimate online resource for NMR and MRI. The term NMR Crystallography has only recently come into common usage, and even now causes raised eyebrows within some parts of the diffraction community. The power of solid-state NMR to give crystallographic information has considerably increased since the CPMAS suite of techniques was introduced in 1976. In the first years of the 21st century, the ability of NMR to provide information to support and facilitate the analysis of single-crystal and powder diffraction patterns has become widely accepted. Indeed, NMR can now be used to refine diffraction results and, in favorable cases, to solve crystal structures with minimal (or even no) diffraction data. The increasing ability to relate chemical shifts (including the tensor components) to the crystallographic location of relevant atoms in the unit cell via computational methods has added significantly to the practice of NMR crystallography. Diffraction experts will increasingly welcome NMR as an allied technique in their structural analyses. Indeed, it may be that in the future crystal structures will be determined by simultaneously fitting diffraction patterns and NMR spectra. This Handbook is organised into six sections. The first contains an overview and some articles on fundamental NMR topics, followed by a section concentrating on chemical shifts, and one on coupling interactions. The fourth section contains articles describing how NMR results relate to fundamental crystallography concepts and to diffraction methods. The fifth section concerns specific aspects of structure, such as hydrogen bonding. Finally, four articles in the sixth section give applications of NMR crystallography to structural biology, organic & pharmaceutical chemistry, inorganic & materials chemistry, and geochemistry. About EMR Handbooks / eMagRes Handbooks The Encyclopedia of Magnetic Resonance (up to 2012) and eMagRes (from 2013 onward) publish a wide range of online articles on all aspects of magnetic resonance in physics, chemistry, biology and medicine. The existence of this large number of articles, written by experts in various fields, is enabling the publication of a series of EMR Handbooks / eMagRes Handbooks on specific areas of NMR and MRI. The chapters of each of these handbooks will comprise a carefully chosen selection of articles from eMagRes. In consultation with the eMagRes Editorial Board, the EMR Handbooks / eMagRes Handbooks are coherently planned in advance by specially-selected Editors, and new articles are written (together with updates of some already existing articles) to give appropriate complete coverage. The handbooks are intended to be of value and interest to research students, postdoctoral fellows and other researchers learning about the scientific area in question and undertaking relevant experiments, whether in academia or industry. Have the content of this Handbook and the complete content of eMagRes at your fingertips! Visit: www.wileyonlinelibrary.com/ref/eMagRes View other eMagRes publications here |
| crystallography download: International Tables for Crystallography, Volume H Christopher J. Gilmore, James A. Kaduk, Henk Schenk, 2019-09-16 Die Pulverdiffraktion ist in der Kristallographie die am weitesten verbreitete Methode. Die Anwendungen umfassen sämtliche Bereiche der Strukturwissenschaften. Dieser neue Band aus der Reihe International Tables deckt alle Aspekte des Verfahrens in über 50 Kapiteln ab. Autoren sind Experten des Fachgebiets. Dieser Band umfasst sieben Teile mit folgenden Inhalten: - Überblick über die Prinzipien der Pulverdiffraktion. - Erläuterung der bei der Pulverdiffraktion eingesetzten Strahlungsquellen, Instrumente und Ausrüstung, Einsatz unterschiedlicher Probenumgebungen und Methoden der Probenvorbereitung. - Information zu Methoden, einschließlich Datenverarbeitung, Indexierung und Reduktion, Whole-Pattern-Modellierung und quantitative Analyse sowie Überblick über die relevanten Datenbanken der Kristallographie. - Fokus auf Strukturbestimmung (einschließlich Methoden im realen und reziproken Raum sowie Methode der maximalen Entropie), Strukturverfeinerung und Strukturvalidierung. - Erläuterung von Defekten, Textur, Mikrostruktur und Fasern, einschließlich Belastung und Beanspruchung, Domänengröße und Dünnfilm. - Untersuchung der für die Pulverdiffraktion verfügbaren Software. - Beschreibung der Anwendungsmöglichkeiten in vielen wichtigen Bereichen (Industrie und Wissenschaften), einschließlich Makromoleküle, Mineralien, Keramik, Zement, Polymere, Forensik, Archäologie und Pharmazeutika sowie Erklärung von Theorie und Anwendungen. Band H ist das wichtigste Referenzwerk für alle, die im Bereich Pulverdiffraktion tätig sind, ob Anfänger und erfahrener Praktiker, wurde für die Praxis entwickelt, ohne Sorgfalt und Genauigkeit zu vernachlässigen. Die Methode der Pulverdiffraktion wird anhand vieler Beispiele ausführlich behandelt. Die Beispieldaten stehen teilweise als Download zur Verfügung. |
| crystallography download: International Tables for Crystallography, Volume I Christopher Chantler, Bruce Bunker, Federico Boscherini, 2024-08-19 X-ray absorption spectroscopy and X-ray emission spectroscopy are complementary to crystallographic methods, particularly for materials science and the study of nanostructure and systems with partial disorder and partial local order, including solutions, gases, liquids, glasses and powders. This new volume of International Tables for Crystallography has nine parts and over 150 chapters contributed by a wide range of international experts. Part 1 provides a brief overview and introduction to the background of X-ray absorption spectroscopy (XAS) and experimental facilities. Part 2 discusses the quantum theory of XAS and related approaches. Part 3 describes both standard and advanced experimental methods used in XAS, X-ray emission spectroscopy (XES) and related techniques. Part 4 covers both standard and more advanced pre-processing of data. Part 5 gives an extensive overview of the analysis of experimental data. Part 6 provides details of the major software packages for data collection, reduction and analysis. Part 7 outlines the importance in science, reporting and hypothesis testing of the exchange of input and processed output data, and data deposition. It also presents excerpts of tables of data and supplementary material for XAS, pre-edge studies, X-ray absorption near-edge spectroscopy (XANES) and X-ray absorption fine structure (XAFS) studies. These tables are also available in full as online supporting information. Part 8 explores a wide range of applications of XAS in fields including materials science, physics, chemistry, biology, earth sciences, catalysis and cultural heritage. Part 9 presents definitions of the terms and quantities used, as developed by the International Union of Crystallography's Commission on XAFS. The volume has been written for the worldwide XAS community of thousands of practitioners, beamline scientists, experts and academics, and for the novice user who wishes to know what XAS and XES can do for them and how they may use these techniques for their particular purposes. The volume is therefore intended to be a self-contained, authoritative reference work that can also be used for training, learning or teaching, providing practical guidance for readers of all levels of experience. More information on the volumes in the series International Tables for Crystallography can be found at https://it.iucr.org. |
| crystallography download: Space Groups for Solid State Scientists Michael Glazer, Gerald Burns, Alexander N. Glazer, 2012-12-02 This Second Edition provides solid state scientists, who are not necessarily experts in crystallography, with an understandable and comprehensive guide to the new International Tables for Crystallography. The basic ideas of symmetry, lattices, point groups, and space groups are explained in a clear and detailed manner. Notation is introduced in a step-by-step way so that the reader is supplied with the tools necessary to derive and apply space group information. Of particular interest in this second edition are the discussions of space groups application to such timely topics as high-temperature superconductors, phase transitions, semiconductor superlattices, incommensurate modulation, and icosahedral symmetry. |
Crystallography Open Database
Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers. Including data and software from CrystalEye, developed by …
Crystallography Open Database: What's New?
A small team of engaged scientists with some experience in database and software design coordinate the Crystallography Open Database (COD) project based on free and automated …
Crystallography Open Database: Browse the COD
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License.Users of the data should acknowledge the original authors of the structural data.
Crystallography Open Database: Search results
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License.Users of the data should acknowledge the original authors of the structural data.
Obtaining COD - wiki.crystallography.net
Apr 22, 2021 · http://www.crystallography.net/pcod/cif/ There is currently no pre-packed version of PCOD (.zip or .tgz files), but if you would need one, please let me know, I will make one and …
Crystallography Open Database
The COD structure - short introduction. The COD is built in a MySQL/PHP/Apache system from CIFs uploaded by crystallographers. These CIFS are first processed by the software which …
Crystallography Open Database
International Union of Crystallography permits systematic downloads of coordinates files published in the IUCr journals; COD is updating its coordinate archive and the database from …
Crystallography Open Database: Search
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License.Users of the data should acknowledge the original authors of the structural data.
Crystallography Open Database: CIF Information Card
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License.Users of the data should acknowledge the original authors of the structural data.
Crystallography Open Database: Information card for entry 9011998
Revision Date Message Files; 291877 (current) 2024-05-16: Inserting missing Z values in most entries in the 9 range: 9011998.cif: 282068: 2023-03-26: cod/ (saulius@tasmanijos-velnias)
Crystallography Open Database
Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers. Including data and software from CrystalEye, developed by …
Crystallography Open Database: What's New?
A small team of engaged scientists with some experience in database and software design coordinate the Crystallography Open Database (COD) project based on free and automated …
Crystallography Open Database: Browse the COD
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License.Users of the data should acknowledge the original authors of the structural data.
Crystallography Open Database: Search results
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License.Users of the data should acknowledge the original authors of the structural data.
Obtaining COD - wiki.crystallography.net
Apr 22, 2021 · http://www.crystallography.net/pcod/cif/ There is currently no pre-packed version of PCOD (.zip or .tgz files), but if you would need one, please let me know, I will make one and …
Crystallography Open Database
The COD structure - short introduction. The COD is built in a MySQL/PHP/Apache system from CIFs uploaded by crystallographers. These CIFS are first processed by the software which writes a .txt …
Crystallography Open Database
International Union of Crystallography permits systematic downloads of coordinates files published in the IUCr journals; COD is updating its coordinate archive and the database from the IUCr web …
Crystallography Open Database: Search
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License.Users of the data should acknowledge the original authors of the structural data.
Crystallography Open Database: CIF Information Card
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License.Users of the data should acknowledge the original authors of the structural data.
Crystallography Open Database: Information card for entry 9011998
Revision Date Message Files; 291877 (current) 2024-05-16: Inserting missing Z values in most entries in the 9 range: 9011998.cif: 282068: 2023-03-26: cod/ (saulius@tasmanijos-velnias)
