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.

The combination of solid materials of different structural dimensionality with atomic or molecular guest species via intercalation processes represents a unique and widely variable low temperature synthesis strategy for the design of solids with particular composition, structure and physical properties. In the last decade this field has experienced a rapid development and represents now an established specific domain of solid state research and materials science. Substantial progress has been made with respect to an understanding of the complex relationship between structure, bonding, physical properties and chemical reactivity since the first volume on the subject appeared in this series in 1979 (Intercalated Layered Materials, F. Levy, ed.). The purpose of this volume is to present a survey on progress and per spectives based on the treatment of a series of major areas of activities in this field. By the very nature of its subject this monograph has an interdisciplinary character and addresses itself to chemists, physicists and materials scien tists interested in intercalation research and related aspects such as design and characterization of complex materials, low temperature synthesis, solid state reaction mechanisms, electronic/ionic conductivity, control of electronic properties of solids with different structural dimensionality and application of intercalation systems. Several chapters have been devoted to specific groups of host lattices."

This volume is a collection of the contributions presented at the 42nd Erice Crystallographic Course whose main objective was to train the younger generation on advanced methods and techniques for examining structural and dynamic aspects of biological macromolecules. The papers review the techniques used to study protein assemblies and their dynamics, including X-ray diffraction and scattering, electron cryo-electron microscopy, electro nanospray mass spectrometry, NMR, protein docking and molecular dynamics. A key theme throughout the book is the dependence of modern structural science on multiple experimental and computational techniques, and it is the development of these techniques and their integration that will take us forward in the future.

This book covers the thermodynamic foundations of inorganic materials science and the controlled synthesis of inorganic materials. A new thermodynamic approach to the non-stoichiometry of crystalline solids, known as vapor pressure scanning, has been developed by the author and is described in detail in this book. It is based on the high-precision experimental determination of the boundaries of the single-phase volume of the solid in the pressure-temperature-composition P-T-X phase space. This approach has been tested on a number of inorganic materials and has been shown to have an unparalleled precision (up to 10-4 at.%) in the determination of non-stoichiometry directly at high temperatures (up to 1200° C). Along with the results obtained by the author and his colleagues, the P-T-X diagrams of other important materials (e.g., III-V, IV-VI semiconductors) are also discussed.

This book of the proceedings of the 1997 NATO Advanced Study Institute (ASI) on Direct Methods for Solving Macromolecular Structures was assembled from the lecturers' contributions and represents a comprehensive and in-depth overview of crystallographic structure determination methods for macromolecules. While having a focus based on the direct methods, the Institute adopted an inclusive and broad perspective. Thus, both direct and experimental phasing techniques are presented in this book, highlighting their complementarities and synergies. As weil, methodologies spanning the full crystallographic image reconstruction process - from low resolution envelope definition to high resolution atomic refinement- are discussed. The first part of the book introduces the array of tools currently used in structure determination, whether originating from a mathematical, computational or experimental framework. This section of the book displays the variety and ingenuity of old and new phasing approaches developed to solve increasingly complex structures. Some of the contributions focus on recent developments and/or implementations that have given older approaches a new life. A case in point is the re-implementation of Buerger's superposition approach, which is now solving protein structures. Another beautiful example is found in the introduction to the traditional multiple isomorphous replacement approach where new techniques, such as site-directed mutagenesis and the use of inert gases in the preparation of heavy atom derivatives, are described. Equally impressive are the presentations of newer approaches, which take advantage of advances on the experimental front (e. g.

The Supramolecular Compounds refer to organised multi-molecular assemblies and associated phenomena. The stability and the properties of these compounds strongly involve structural three-dimensional (3D) information. The crystal itself can be considered as a giant supermolecule. Thus, a thorough understanding of crystal structures and crystal growth provides a unique information on the intermolecular interactions. Indeed, each crystal reflects in a particular way the recognition properties of molecules. More so, modern crystallography allows to study in detail two or three-component crystalline solids in which the recognition processes can be seen from the structural standpoint. Crystallography of smaller and smaller single crystals, faster and faster experiments, time-resolved x-ray crystallography, are extremely potent source of physico-chemical information. The present Advanced Study Institute (A.S.I.) - which was planned five years ago as the 22nd Course of the International School of Crystallography (director: T. L. BLUNDELL), 1-11 June 1995, E. Majorana Centre, Erice, Italy - is probably the first international meeting specifically devoted to the Crystallography of Supramolecular Compounds. The presence of crystallographers, chemists and physicists enhanced the coherence of the typical sequence: Conception and Design - Synthesis - Structure and Visualisation - Properties. The interactive and interdisciplinary character of this research is central to the development of general structural models for a large spectrum of compounds: ionophores, cryptates, fullerenes, calixarenes, cyclodextrins, cyclotriveratrylenes, pillar type compounds, zeolites, hydrates, solvates and others."

Coverings are efficient ways to exhaust Euclidean N-space with congruent geometric objects. Discrete quasiperiodic systems are exemplified by the atomic structure of quasicrystals. The subject of coverings of discrete quasiperiodic sets emerged in 1995. The theory of these coverings provides a new and fascinating perspective of order down to the atomic level. The authors develop concepts related to quasiperiodic coverings and describe results. Specific systems in 2 and 3 dimensions are described with many illustrations. The atomic positions in quasicrystals are analyzed.

This book by Lev M. Blinov is ideal to guide researchers from their very first encounter with liquid crystals to the level where they can perform independent experiments on liquid crystals with a thorough understanding of their behaviour also in relation to the theoretical framework. Liquid crystals can be found everywhere around us. They are used in virtually every display device, whether it is for domestic appliances of for specialized technological instruments. Their finely tunable optical properties make them suitable also for thermo-sensing and laser technologies. There are many monographs written by prominent scholars on the subject of liquid crystals. The majority of them presents the subject in great depth, sometimes focusing on a particular research aspect, and in general they require a significant level of prior knowledge. In contrast, this books aims at an audience of advanced undergraduate and graduate students in physics, chemistry and materials science. The book consists of three parts: the first part, on structure, starts from the fundamental principles underlying the structure of liquid crystals, their rich phase behaviour and the methods used to study them; the second part, on physical properties, emphasizes the influence of anisotropy on all aspects of liquid crystals behaviour; the third, focuses on electro-optics, the most important properties from the applications standpoint. This part covers only the main effects and illustrates the underlying principles in greater detail. Professor Lev M. Blinov has had a long carrier as an experimentalist. He made major contributions in the field of ferroelectric mesophases. In 1985 he received the USSR state prize for investigations of electro-optical effects in liquid crystals for spatial light modulators. In 1999 he was awarded the Frederiks medal of the Soviet Liquid Crystal Society and in 2000 he was honoured with the G. Gray silver medal of the British Liquid Crystal Society. He has held many visiting academic positions in universities and laboratories across Europe and in Japan.

X-ray crystallography has long been a vital method for studying the structure of proteins and other macromolecules. As the importance of proteins continues to grow, in fields from biochemistry and biophysics to pharmaceutical development and biotechnology, many researchers have found that a knowledge of X-ray diffraction is an indispensable tool. In this new edition of his essential work, Dr. Jan Drenth, recognized internationally for his numerous contributions to crystallographic research, has provided an up-to-date and technically rigorous introduction to the subject. Principles of Protein X-ray Crystallography provides the theoretical background necessary to understand how the structure of proteins is determined at atomic resolution. It is intended to serve as an introduction for graduate students, postdoctoral researchers, and established scientists who want to use protein crystallography in their own endeavors, or need to understand the subject in order to critically evaluate the literature. New additions to the book include a section on twinning, an additional chapter on crystal growth and a discussion of single-wavelength anomalous dispersion (SAD).

Crystal engineering - where the myriad of intermolecular forces operating in the solid-state are employed to design new nano- and functional materials - is a key new technology with implications for catalysis, pharmaceuticals, synthesis and materials science.
Frontiers in Crystal Engineering gathers personal perspectives, from international specialists working in molecular aspects of crystal engineering, on the practical and theoretical challenges of the discipline, and future prospects. These demonstrate the approaches that are being used to tackle the problems associated with the complexity, design and functionality of crystalline molecular solids.
Topics include
* how intermolecular forces direct and sustain crystal structures
* functional engineering and design elements
* coordination polymers and network structures
* applications in green and pharmaceutical chemistry
Frontiers in Crystal Engineering is a useful guide to this exciting new discipline for both entrants to the field as well as established practitioners, and for those working in crystallography, medicinal and pharmaceutical sciences, solid-state chemistry, and materials and nanotechnology.

In this, the only book available to combine both theoretical and practical aspects of x-ray diffraction, the authors emphasize a "hands on" approach through experiments and examples based on actual laboratory data. Part I presents the basics of x-ray diffraction and explains its use in obtaining structural and chemical information. In Part II, eight experimental modules enable the students to gain an appreciation for what information can be obtained by x-ray diffraction and how to interpret it. Examples from all classes of materials -- metals, ceramics, semiconductors, and polymers -- are included. Diffraction patterns and Bragg angles are provided for students without diffractometers. 192 illustrations.

The reader shall find in the offered monograph a systematic presentation of scientific effects in the field of anisotropy studies reached by the author and his collaborators in the period of recent four decades: published and discussed in a number of papers and conference contributions. The central construction line of discussion is to be sought in the full and comprehensive analysis of ret: ) function defining the anisotropy coefficient varying during the tensile test. No doubt, this function can be considered as a nutshell carrier ofcomprehensive information about the essential features influencing the directionality of the studied material's plasticity. The function also provides the basis to elaborate methods used in the determination of such characteristics. In the historical presentation of literature in the field of plastic anisotropy, the original input was offered by W.M. Baldwin Jr., already in 1946, who observed the differentiated strain rates in three mutually perpendicular directions of the sample subjected to static tensile test. In the following years, further and expanded analysis of the problem was undertaken by Lankford, Hill, Gensamer, Jackson, Low and Smith.

In 1912 Lawrence Bragg explained the interaction of X-rays with crystals, and he and his father (William) thereby pioneered X-ray spectroscopy and X-ray crystallography. They then led the latter field internationally for 50 years, when most areas of science were transformed by the knowledge created: physics, chemistry, geology, materials science, electronics, and most recently biology and medical science. This book charts how this humble pair (William English, his son Australian) rose from obscurity to international prominence and then back to current, undeserved obscurity. Attention is also given to the crucial roles of both father and son during the dreadful years of the First World War, and to William's early and unshakeable belief in the dual wave and particle natures of radiation and his eventual vindication.
Unlike earlier studies, the book highlights the intimate interactions between father and son that made their project possible, emphasizes personal, family, and wider human relationships, and offers new insights into teaching and research in a British colonial setting.

An innovative, unified, and comprehensive treatment of the geometric and electronic structure of surfaces. The book emphasizes fundamental aspects, such as the principles of surface crystallography and thermodynamics, the forces driving the rearrangement of the atoms, and the relationship between bonding and electronic structure. It especially illuminates the relationship between surface orientation, chemistry, energetics, and the resulting properties. Principles of Surface Physics develops general physical arguments and methods that enable readers to analyse novel surfaces and interfaces of new materials. This makes the book an indispensable reference to all those studying growth, surface-molecule interactions, self-assembled structures, and materials engineering.

"Light is a Messenger" is the first biography of William Lawrence Bragg, who was only 25 when he won the 1915 Nobel Prize in Physics - the youngest person ever to win a Nobel Prize. It describes how Bragg discovered the use of X-rays to determine the arrangement of atoms in crystals and his pivotal role in developing this technique to the point that structures of the most complex molecules known to Man - the proteins and nucleic acids - could be solved. Although Bragg's Nobel Prize was for physics, his research profoundly affected chemistry and the new field of molecular biology, of which he became a founding figure. This book explains how these revolutionary scientific events occurred while Bragg struggled to emerge from the shadow of his father, Sir William Bragg, and amidst a career-long rivalry with the brilliant American chemist, Linus Pauling.

Continues the aim of Structure reports to present critical accounts of all crystallographic structure determinations of metals and of inorganic compounds. Published for the International Union of Crystallography. Annotation copyright Book News, Inc. Portland, Or.

Structure formation in crystallizing polymers, as occurring during processing, has not been treated so far in a coherent form. This fact explains, why this monograph is written as the ?rst book devoted to this subject. A quarter of a century ago the underdevelopment of this subject was obvious. Trial and error dominated. In fact, other apposite subjects as polymer melt rheology or heat transfer, had reached high levels. A great number of books has been devoted to them. Mold ?lling of amorphous polymers and the solidi?cation of these polymers by vitri?cation can nowadays be simulated numerically with a high degree of accuracy. In the solidi?ed sample even residual stresses and corresponding birefringence effects can accurately be 1 calculated . However, semicrystalline polymers, which form the majority of industrial po- mers, have been excluded from these considerations for good reasons. In fact, great uncertainties existed about the formation of quality determining crystalline str- tures. In particular, polyole?ns suffered from this shortcoming. In 1983 this fact instigated the polymer research group at the Johannes Kepler University in Linz to start with pertinent activities. The urgency of this kind of studies becomes evident, if advantages and hitches of these polymers are considered. 1. Versatility of processing: Injection molding into a great variety of shapes and sizes, from thin walled beakers to garden chairs, not to forget pipe and pro?le extrusion, cable coating, ?ber spinning, ?lm blowing. 2. Product qualities: Ductility, low density, good electric insulation, corrosion resistance, surface quality.

This book covers developments in the field of thermotropic liquid crystals and their functional importance. It also presents advances related to different sub-areas pertinent to this interdisciplinary area of research. This text brings together research from synthetic scientists and spectroscopists and attempts to bridge the gaps between these areas. New physical techniques that are powerful in characterizing these materials are discussed.

This handbook seeks to facilitate the selection, design and operation of large-scale industrial crystallizers that process crystals with the proper size distribution, shape and purity sought - including cooling, evaporation, drowning-out reaction, melt, and related crystallization techniques. This new edition offers new results on direct-contact cooling crystallization. It lists the properties of over 170 organic and inorganic crystallization systems.

In the last decade mathematical crystallography has found increasing interest. Siginificant results have been obtained by algebraic, geometric, and group theoretic methods. Also classical crystallography in three-dimen sional Euclidean space has been extended to higher dimen sions in order to understand better the dimension independent crystallographic properties. The aim of this note is to introduce the reader to the fascinating and rich world of geometric crystallography. The prerequisites for reading it are elementary geometry and topological notations, and basic knowledge of group theory and linear algebra. Crystallography is geometric by its nature. In many cases, geometric arguments are the most appropriate and can thus best be understood. Thus the geometric point of view is emphasized here. The approach is axiomatic start ing from discrete point sets in Euclidean space. Symmetry comes in very soon and plays a central role. Each chapter starts with the necessary definitions and then the subject is treated in two- and three-dimensional space. Subsequent sections give an extension to higher dimensions. Short historical remarks added at the end of the chapters will show the development of the theory. The chapters are main ly self-contained. Frequent cross references, as well as an extended subject index, will help the reader who is only interested in a particular subject."