This comprehensive text is addressed at scientists who are interested in considering crystalline materials from a non-conventional but inspiring viewpoint. It contains the first systematic theoretical and illustrative presentation of crystalline materials built from modules.

This book provides a clear and very broadly based introduction to crystallography, light, X-ray and electron diffraction - a knowledge which is essential to students in a wide range of scientific disciplines but which is otherwise generally covered in subject-specific and more mathematically detailed texts. The text is also designed to appeal to the more general reader since it shows, by historical and biographical references, how the subject has developed from the work and insights of successive generations of crystallographers and scientists. The book shows how an understanding of crystal structures, both inorganic and organic may be built up from simple ideas of atomic and molecular packing. Beginning with (two dimensional) examples of patterns and tilings, the concepts of lattices, symmetry point and space groups are developed. 'Penrose' tilings and quasiperiodic structures are also included. The reciprocal lattice and its importance in understanding the geometry of light, X-ray and electron diffraction patterns is explained in simple terms, leading to Fourier analysis in diffraction, crystal structure determination, image formation and the diffraction-limited resolution in these techniques. Practical X-ray and electron diffraction techniques and their applications are described. A recurring theme is the common principles: the techniques are not treated in isolation. The fourth edition has been revised throughout, and includes new sections on Fourier analysis, Patterson maps, direct methods, charge flipping, group theory in crystallography, and a new chapter on the description of physical properties of crystals by tensors (Chapter 14).

Crystals and Crystal Structures is an introductorytext for students and others who need to understand the subjectwithout necessarily becoming crystallographers. Using the book willenable students to read scientific papers and articles describing acrystal structure or use crystallographic databases with confidenceand understanding. Reflecting the interdisciplinary nature of the subject the bookincludes a variety of applications as diverse as the relationshipbetween physical properties and symmetry, and molecular and proteincrystallography. As well as covering the basics the book containsan introduction to areas of crystallography, such as modulatedstructures and quasicrystals, and protein crystallography, whichare the subject of important and activeresearch. A non-mathematical introduction to the key elements of thesubject Contains numerous applications across a variety ofdisciplines Includes a range of problems and exercises Clear, direct writing style "…the book contains a wealth of information and itfulfils its purpose of providing an interesting and broadintroduction to the terpenes." CHEMISTRY WORLD, February2007

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.

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.

Since the early 1990s the atomic pair distribution function (PDF) analysis of powder diffraction data has undergone something of a revolution in its ability to do just that: yield important structural information beyond the average crystal structure of a material. With the advent of advanced sources, computing and algorithms, it is now useful for studying the structure of nanocrystals, clusters and molecules in solution or otherwise disordered in space, nanoporous materials and things intercalated into them, and to look for local distortions and defects in crystals. It can be used in a time-resolved way to study structural changes taking place during synthesis and in operating devices, and to map heterogeneous systems. Although the experiments are somewhat straightforward, there can be a gap in knowledge when trying to use PDF to extract structural information by modelling. This book addresses this gap and guides the reader through a series of real life worked examples that gradually increase in complexity so the reader can have the independence and confidence to apply PDF methods to their own research and answer their own scientific questions. The book is intended for graduate students and other research scientists who are new to PDF and want to use the methods but are unsure how to take the next steps to get started.

This book provides an account of the structure and properties of crystalline binary adducts. Such crystals are perhaps better known as molecular compounds and complexes and are estimated to make up one quarter of the world's crystals. More than 600 figures, 200 tables and 3500 references are included in the book.

Small-angle scattering of X-rays (SAXS) and neutrons (SANS) is an established method for the structural characterization of biological objects in a broad size range from individual macromolecules (proteins, nucleic acids, lipids) to large macromolecular complexes. SAXS/SANS is complementary to the high resolution methods of X-ray crystallography and nuclear magnetic resonance, allowing for hybrid modeling and also accounting for available biophysical and biochemical data. Quantitative characterization of flexible macromolecular systems and mixtures has recently become possible. SAXS/SANS measurements can be easily performed in different conditions by adding ligands or binding partners, and by changing physical and/or chemical characteristics of the solvent to provide information on the structural responses. The technique provides kinetic information about processes like folding and assembly and also allows one to analyze macromolecular interactions. The major factors promoting the increasingly active use of SAXS/SANS are modern high brilliance X-ray and neutron sources, novel data analysis methods, and automation of the experiment, data processing and interpretation. In this book, following the presentation of the basics of scattering from isotropic macromolecular solutions, modern instrumentation, experimental practice and advanced analysis techniques are explained. Advantages of X-rays (rapid data collection, small sample volumes) and of neutrons (contrast variation by hydrogen/deuterium exchange) are specifically highlighted. Examples of applications of the technique to different macromolecular systems are considered with specific emphasis on the synergistic use of SAXS/SANS with other structural, biophysical and computational techniques.

This title provides a brief but accurate summary of all the basic ideas, theories, methods, and conspicuous results of structure analysis and molecular modelling of the condensed phases of organic compounds.

The art of solving a structure from powder diffraction data has developed rapidly over the last ten years to the point where numerous crystal structures, both organic and inorganic, have been solved directly from powder data. However, it is still an art and, in contrast to its single crystal equivalent, is far from routine. The art lies not only in the correct application of a specific experimental technique or computer program, but also in the selection of the optimal path for the problem at hand. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.