A little over ?ve years have passed since the ?rst edition of this book appeared in print. Seems like an instant but also eternity, especially considering numerous developments in the hardware and software that have made it from the laboratory test beds into the real world of powder diffraction. This prompted a revision, which had to be beyond cosmetic limits. The book was, and remains focused on standard laboratory powder diffractometry. It is still meant to be used as a text for teaching students about the capabilities and limitations of the powder diffraction method. We also hope that it goes beyond a simple text, and therefore, is useful as a reference to practitioners of the technique. The original book had seven long chapters that may have made its use as a text - convenient. So the second edition is broken down into 25 shorter chapters. The ?rst ?fteen are concerned with the fundamentals of powder diffraction, which makes it much more logical, considering a typical 16-week long semester. The last ten ch- ters are concerned with practical examples of structure solution and re?nement, which were preserved from the ?rst edition and expanded by another example - R solving the crystal structure of Tylenol .

Providing the first comprehensive overview of the method of crystal growth in gels, Professor Henisch reviews the field, covering the underlying physics as well as the empirical experience of growth techniques accumulated over the past century. In addition, the book discusses the phenomenon of periodic precipitation, which often governs the distribution of crystal in laboratory growth systems. For the first time, computer techniques are brought to bear on the subject, the diffusion equations being solved numerically, in association with the conditions governing precipitations and crystal growth.

Clear, concise explanation of the logical development of basic crystallographic concepts. Extensive discussion of crystals and lattices, symmetry, crystal systems and geometry, x-ray diffraction, determination of atomic positions and more. Well-chosen selection of problems, with answers. Ideal for a course in crystallography or as a supplement to physical chemistry courses. "This is truly a delightful monograph"-Canadian Chemical Education. 1969 edition. 114 illustrations.

X-ray crystallography is the main method used to determine the structure of biological molecules (mainly proteins). Most biological scientists find it hard to understand the process of working out a structure using crystallographic methods because they don't have a mathematical background. X-ray crystallography is explained here without maths and reading this book will enable all biologists to asses the quality and accuracy of biological structures.

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.

Structure and Dynamics of Biomolecules is a manual describing the principles behind various types of experiments on biological samples using synchrotron radiation or neutrons and provides the technical understanding needed for interpreting the data collected. It is based on the HERCULES lecture series.

A powerful and relatively new method for extracting detailed crystal structural information from X-ray and neutron powder diffraction data, the Rietveld method attracts a great deal of interest from researchers in physics, chemistry, materials science, and crystallography. Now available in paperback, this book comprises chapters from international researchers on all aspects of this important technique. It will be of great interest to all researchers in the fields, as well as graduate students seeking a solid introduction and comprehensive survey.

Contributors: R. A. Young (Georgia Institute of Technology, Atlanta, USA); H. M. Rietveld (Netherlands Energy Research Foundation); E. Prince (National Institute of Standards and Technology, Gaithersburg); T. M. Sabine (University of Technology, Broadway); R. J. Hill (CSIRO Divisionof Mineral Products, Port Melbourne); J. W. Richardson Jr. (Argonne National Laboratory, Argonne); R. L. Snyder (New York State College of Ceramics, USA); R. Delhez, Th. H. de Keijser, E. J. Mittemeijer, and E. J. Sonneveld (Laboratory of Metallurgy, Delft University of Technology); J. I. Langford (University of Birmingham, UK); D. Louër (Université de Rennes, France); P. Suortti (ESRF, Grenoble, Switzerland); C. Bärlocher (ETH Zentrum, Zürich); W. I. F. David (Rutherford Appleton Laboratory, UK); J. D. Jorgensen (Argonne National Laboratory, Argonne); R. B. von Dreele (Los Alamos National Laboratory, USA); F. Izumi (National Institute for Research in Inorganic Materials, Tsukuba, Japan); H. Toraya (Nagoya Institute of Technology, Asahigaoka); A. K. Cheetham (University of California, Santa Barbara, USA)

There has been an explosion of interest in the study of molecular crystals, and their applications in optics and electronics. This advanced 1994 textbook describes their chemical and physical structure, their optical and electronic properties and the reactions between neighbouring molecules in crystals. The author has taken into account research areas which have undergone extremely rapid development since the first edition was published in 1987. For instance, this edition features the applications of molecular materials in high-technology devices. There is also an additional chapter on C60 and organic non-linear optic materials. The level of treatment is aimed at first-year postgraduates or workers in industrial research laboratories wishing to gain insights into organic solid state materials. Molecular Crystals is also suitable for special topics in final year undergraduate courses in chemistry, physics and electronic engineering.

This book, together with its companion volume The Science of Crystallization: Microscopic Interfacial Phenomena, make up a complete course that will teach an advanced student how to understand and analyse scientifically any of the phenomena that are observed during natural or technological crystallization from any medium and via any technique. It is an advanced text that goes into considerable detail concerning the many elements of knowledge needed to understand both quantitatively and qualitatively a crystallization event. Both the present book and its companion volume are sufficiently broad to provide the scientific basis necessary to address any area of application. The book and its companion can be used independently of each other, and together they provide the basis for advanced courses on crystallization in departments of materials science, metallurgy, electrical engineering, geology, chemistry, chemical engineering and physics. In addition the books will be invaluable to scientists and engineers in the solid state electronics, optoelectronics, metallurgical and chemical industries involved in any form of crystallization and thin film formation.

Most people are familiar with the fact that diamond and graphite are both composed only of carbon; yet they have very different properties which result from the very different structures of the two solids - they are polymorphs of carbon. Understanding the relationship between the structures and the properties of materials is of fundamental importance in developing and producing new materials with improved or new properties. The existence of polymorphic systems allows the direct study of the connection between structures and properties. This book provides grounding on the fundamental structural and energetic basis for polymorphism, the preparation and characterization of polymorphic substances and its importance in the specific areas of pharmaceuticals, pigments and high energy (explosive) materials. The closing chapter describes the intellectual property implications and some of the precedent patent litigations in which polymorphism has played a central role. The book contains over 2500 references to provide a ready entry into the relevant literature.

Diffuse X-ray scattering is a rich source of local structural information over and above that obtained by conventional crystal structure determination. The main aim of the book is to show how computer simulation of a model crystal provides a general method by which diffuse scattering of all kinds and from all types of materials can be interpreted and analysed. Since the first edition was published in 2004 there have been major improvements both in the experimental methods for recording diffuse scattering and in our ability to analyse it. The advent of new and better detectors means that fully 3-dimensional diffuse scattering data can be collected routinely for even quite small samples and computational power that is now available has continued its upward trend, meaning modelling calculations inconceivable in 2004 are now routine. The final part of the book traces these recent developments and outlines their future potential in the field.

Continuous crystallization is an area of intense research, with particular respect to the pharmaceutical industry and fine chemicals. Improvements in continuous crystallization technologies offer chemical industries significant financial gains, through reduced expenditure and operational costs, and consistent product quality. Written by well-known leaders in the field, The Handbook of Continuous Crystallization presents fundamental and applied knowledge, with attention paid to application and scaling up, and the burgeoning area of process intensification. Beginning with concepts around crystallization techniques and control strategies, the reader will learn about experimental methods and computational tools. Case studies spanning fine and bulk chemicals, the pharmaceutical industry, and employing new mathematical tools, put theory into context.

This monograph provides the first extensive treatment of magnetic small-angle neutron scattering (SANS). The theoretical background required to compute magnetic SANS cross sections and correlation functions related to long-wavelength magnetization structures is laid out. The concepts are scrutinized based on the discussion of experimental neutron data. Regarding prior background knowledge, some familiarity with the basic magnetic interactions and phenomena as well as scattering theory is desired. Besides exposing the different origins of magnetic SANS, and furnishing the basics of the magnetic SANS technique in early chapters, a large part of the book is devoted to a comprehensive treatment of the continuum theory of micromagnetics, as it is relevant for the study of the elastic magnetic SANS cross section. Analytical expressions for the magnetization Fourier components allow to highlight the essential features of magnetic SANS and to analyze experimental data both in reciprocal, as well as in real space. Later chapters provide an overview on the magnetic SANS of nanoparticles and so-called complex systems (e.g., ferrofluids, magnetic steels, spin glasses and amorphous magnets). It is this subfield where major progress is expected to be made in the coming years, mainly via the increased usage of numerical micromagnetic simulations (Chapter 7), which is a very promising approach for the understanding of the magnetic SANS from systems exhibiting nanoscale spin inhomogeneity.

Most people are familiar with the fact that diamond and graphite are both composed only of carbon; yet they have very different properties which result from the very different structures of the two solids - they are polymorphs of carbon. Understanding the relationship between the structures and the properties of materials is of fundamental importance in developing and producing new materials with improved or new properties. The existence of polymorphic systems allows the direct study of the connection between structures and properties. This book provides grounding on the fundamental structural and energetic basis for polymorphism, the preparation and characterization of polymorphic substances and its importance in the specific areas of pharmaceuticals, pigments and high energy (explosive) materials. The closing chapter describes the intellectual property implications and some of the precedent patent litigations in which polymorphism has played a central role. The book contains over 2500 references to provide a ready entry into the relevant literature.

Neutron scattering is arguably the most powerful technique available for looking inside materials and seeing what the atoms are doing. This textbook provides a comprehensive and up-to-date account of the many different ways neutrons are being used to investigate the behaviour of atoms and molecules in bulk matter. It is written in a pedagogical style, and includes many examples and exercises. Every year, thousands of experiments are performed at neutron scattering facilities around the world, exploring phenomena in physics, chemistry, materials science, as well as in interdisciplinary areas such as biology, materials engineering, and cultural heritage. This book fulfils a need for a modern and pedagogical treatment of the principles behind the various different neutron techniques, in order to provide scientists with the essential formal tools to design their experiments and interpret the results. The book will be of particular interest to researchers using neutrons to study the atomic-scale structure and dynamics in crystalline solids, simple liquids and molecular fluids by diffraction techniques, including small-angle scattering and reflectometry, and by spectroscopic methods, ranging from conventional techniques for inelastic and quasielastic scattering to neutron spin-echo and Compton scattering. A comprehensive treatment of magnetic neutron scattering is given, including the many and diverse applications of polarized neutrons.

Crystals have fascinated us for centuries with their beauty and symmetry, and have often been invested with magical powers. The use of X-ray diffraction, first pioneered in 1912 by father and son William and Lawrence Bragg, enabled us to probe the structure of molecules, and heralded the scientific study of crystals, leading to an understanding of their atomic arrangements at a fundamental level. The new discipline, called X-ray crystallography, has subsequently evolved into a formidable science that underpins many other scientific areas. Starting from the determination of the structures of very simple crystals, such as that of common salt, today it has become almost routine to determine the positions of tens of thousands of atoms in a crystal. In this Very Short Introduction Mike Glazer shows how the discoveries in crystallography have been applied to the creation of new and important materials, to drugs and pharmaceuticals and to our understanding of genetics, cell biology, proteins, and viruses. Tracing the history of crystallography, he analyses astonishing developments in new sources of X-rays, as well as of neutrons, and in electron microscopy, and considers the impact they have on the study of crystals today. ABOUT THE SERIES: The Very Short Introductions series from Oxford University Press contains hundreds of titles in almost every subject area. These pocket-sized books are the perfect way to get ahead in a new subject quickly. Our expert authors combine facts, analysis, perspective, new ideas, and enthusiasm to make interesting and challenging topics highly readable.

A comprehensive and approachable introduction to crystallography -- now updated in a valuable new edition

The Second Edition of this well-received book continues to offer the most concise, authoritative, and easy-to-follow introduction to the field of crystallography. Dedicated to providing a complete, basic presentation of the subject that does not assume a background in physics or math, the book's content flows logically from basic principles to methods, such as those for solving phase problems, interpretation of Patterson maps and the difference Fourier method, the fundamental theory of diffraction and the properties of crystals, and applications in determining macromolecular structure.

This new edition includes a vast amount of carefully updated materials, as well as two completely new chapters on recording and compiling X-ray data and growing crystals of proteins and other macromolecules.

Richly illustrated throughout to clarify difficult concepts, this book takes a non-technical approach to crystallography that is ideal for professionals and graduate students in structural biology, biophysics, biochemistry, and molecular biology who are studying the subject for the first time.

Sir Isaac Newton once declared that his momentous discoveries were only made thanks to having 'stood on the shoulders of giants'. The same might also be said of the scientists James Watson and Francis Crick. Their discovery of the structure of DNA was, without doubt, one of the biggest scientific landmarks in history and, thanks largely to the success of Watson's best-selling memoir 'The Double Helix', there might seem to be little new to say about this story. But much remains to be said about the particular 'giants' on whose shoulders Watson and Crick stood. Of these, the crystallographer Rosalind Franklin, whose famous X-ray diffraction photograph known as 'Photo 51' provided Watson and Crick with a vital clue, is now well recognised. Far less well known is the physicist William T. Astbury who, working at Leeds in the 1930s on the structure of wool for the local textile industry, pioneered the use of X-ray crystallography to study biological fibres. In so doing, he not only made the very first studies of the structure of DNA culminating in a photo almost identical to Franklin's 'Photo 51', but also founded the new science of 'molecular biology'. Yet whilst Watson and Crick won the Nobel Prize, Astbury has largely been forgotten. The Man in the Monkeynut Coat tells the story of this neglected pioneer, showing not only how it was thanks to him that Watson and Crick were not left empty-handed, but also how his ideas transformed biology leaving a legacy which is still felt today.

Discrete Element Methods (DEM) is a numerical technique for analysing the mechanics and physics of particulate systems. Originated in the late seventies for analysing geotechnical problems, it has seen significant development and is now employed extensively across disciplines. Produced in celebration of the 70th Birthday of Colin Thornton, this book contains a selection of papers concerning advances in discrete element modelling which were presented at the International Symposium on Discrete Element Modelling of Particulate Media held at Birmingham, UK on 28-30th March, 2012. The book showcases the wide application of discrete element modelling in gas-solid fluidisation, particulate flows, liquid-solid systems and quasi-static behaviour. It also reports the recent advancement in coupled DEM with computational fluid dynamics, Lattice Boltzmann Methods for multiphase systems and the novel application of DEM in contact electrification and fracture of granular systems. Aimed at research communities dealing with this technique in the powder handling and formulation industries, this will be a welcomed addition to the literature in this area.

Small angle solution scattering (SAS) is increasingly being applied to biological problems. It is a complementary technique that, when applied in appropriate circumstances with carefully structured questions, can provide unique information not available from other techniques. While small angle solution scattering has been around for some time, a confluence of recent developments has dramatically enhanced its power. Intense third generation X-ray sources, low noise detectors, development of new algorithms and the computational power to take advantage of these have all matured, and use of free-electron x-ray laser sources is on the horizon. Whole new classes of experiments and analyses have been created as a result. These include the generation of molecular envelopes, the ability to do time-resolved studies, and the ability to account for structural changes using modelling based on the SAS data. The technical improvements have also reduced the amount of time and material needed to carry out an experiment. Beamtime at synchrotron sources is in demand, workshops on the subject are popular and researchers adopting the technique as part of their repertoire are growing. With these in mind, this book was written to guide structural biologists who may wish to adopt the technique, understand its strengths and weaknesses or just have a general interest in its potential.

A complete account of the theory of the diffraction of X-rays by crystals, with particular reference to the processes of determining the structures of protein molecules. This book is aimed primarily at structural biologists and biochemists but will also be valuable to those entering the field with a background in physical sciences or chemistry. It may be used at any post-school level, and develops from first principles all relevant mathematics, diffraction and wave theory, assuming no mathematical knowledge beyond integral calculus. The book covers a host of important topics in the area, including: - The practical aspects of sample preparation and X-ray data collection, using both laboratory and synchrotron sources - Data analysis at both theoretical and practical levels - The important role played by the Patterson function in structure analysis, by both molecular replacement and experimental phasing approaches - Methods for improving the resulting electron density map - The theoretical basis of methods used in refinement of protein crystal structures - In-depth explanation of the crucial task of defining the binding sites of ligands and drug molecules - The complementary roles of other diffraction methods: these reveal further detail of great functional importance in a crystal structure.

Since it was first published in 1995, "Photonic Crystals" has remained the definitive text for both undergraduates and researchers on photonic band-gap materials and their use in controlling the propagation of light. This newly expanded and revised edition covers the latest developments in the field, providing the most up-to-date, concise, and comprehensive book available on these novel materials and their applications.

Starting from Maxwell's equations and Fourier analysis, the authors develop the theoretical tools of photonics using principles of linear algebra and symmetry, emphasizing analogies with traditional solid-state physics and quantum theory. They then investigate the unique phenomena that take place within photonic crystals at defect sites and surfaces, from one to three dimensions. This new edition includes entirely new chapters describing important hybrid structures that use band gaps or periodicity only in some directions: periodic waveguides, photonic-crystal slabs, and photonic-crystal fibers. The authors demonstrate how the capabilities of photonic crystals to localize light can be put to work in devices such as filters and splitters. A new appendix provides an overview of computational methods for electromagnetism. Existing chapters have been considerably updated and expanded to include many new three-dimensional photonic crystals, an extensive tutorial on device design using temporal coupled-mode theory, discussions of diffraction and refraction at crystal interfaces, and more. Richly illustrated and accessibly written, "Photonic Crystals" is an indispensable resource for students and researchers.Extensively revised and expanded Features improved graphics throughout Includes new chapters on photonic-crystal fibers and combined index-and band-gap-guiding Provides an introduction to coupled-mode theory as a powerful tool for device design Covers many new topics, including omnidirectional reflection, anomalous refraction and diffraction, computational photonics, and much more.

Multi-component crystalline systems or co-crystals have received tremendous attention from academia and industry alike in the past decade. Applications of co-crystals are varied and are likely to positively impact a wide range of industries dealing with molecular solids. Co-crystallization has been used to improve the properties and performance of materials from pharmaceuticals to energetic materials, as well as for separation of compounds. This book combines co-crystal applications of commercial and practical interest from diverse fields in to a single volume. It also examines effective structural design of co-crystals, and provides insights into practical synthesis and characterization techniques. Providing a useful resource for postgraduate students new to applied co-crystal research and crystal engineering, it will also be of interest to established researchers in academia or industry.

Crystallography is an interdisciplinary science covering a wide area, from biology to earth sciences, mathematics and materials science. Its role is growing, owing to the contribution crystallography can offer to the understanding of such diverse fields as biological structures, high-temperature superconductors, mineral properties, and phase transitions. The book describes both the theoretical bases and applications of different areas interacting with crystallography. As with the first and second editions, it is organized as a collection of chapters written by recognized specialists, with all contributions being harmonized into a unified whole. The main text is devoted to the presentation of basics; the appendices deal with specialist aspects. In this third edition topics have been updated so as to document the present state of the art: emphasis is placed upon areas of current research.
To facilitate learning and make teaching more effective, new illustrations have been introduced. As with the second edition, a software package is included via the book's OUP web site: modern graphics will help users to better understand the basics of this science via three-dimensional images, simulation of experiments, and exercises.

This text focuses on the practical aspects of crystal structure analysis, and provides the necessary conceptual framework for understanding and applying the technique. By choosing an approach that does not put too much emphasis on the mathematics involved, the book gives practical advice on topics such as growing crystals, solving and refining structures, and understanding and using the results. The technique described is a core experimental method in modern structural chemistry, and plays an ever more important role in the careers of graduate students, postdoctoral and academic staff in chemistry, and final-year undergraduates.
Much of the material of the first edition has been significantly updated and expanded, and some new topics have been added. The approach to several of the topics has changed, reflecting the book's new authorship, and recent developments in the subject.