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Crystallography is one of the most multidisciplinary sciences, with roots in fields as varied as mathematics, physics, chemistry, biology, materials science, computation and earth and planetary science. The structural knowledge gained from crystallography has been instrumental in acquiring new levels of understanding in numerous scientific areas. P
A long established research crystallographer, John Helliwell, provides his perspectives on crystallography, one of the most multidisciplinary sciences, having its roots in fields as varied as mathematics, physics, chemistry, biology, materials science, computation and planetary earth sciences among many others. The UNESCO approved International Year of Crystallography took place in 2014. A key message was to build on the achievements of that year. This book aims to contribute to that process by providing rich and colorful information on everything from the history of crystal structure analysis to the societal impacts of crystallography in the sustainability of life.
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.
The book describes phasing techniques in modern crystallography. The main text is dedicated to their simple description, and further mathematical details are contained in the appendices. Practical aspects are described for each specific method, making it a useful tool for the daily work of practising crystallographers.
This book on liquid crystals reports on the new perspectives that have been brought about by the recent expansion of frontiers and overhaul of common beliefs. First, it explores the interaction of light with mesophases, when the light or matter is endowed with topological defects. It goes on to show how electrophoresis, electro-osmosis and the swimming of flagellated bacteria are affected by the anisotropic properties of liquid crystals. It also reports on the recent progress in the understanding of thermomechanical and thermohydrodynamical effects in cholesterics and deformed nematics and refutes the common belief that these effects could explain Lehmann’s observations of the rotation of cholesteric droplets subjected to a temperature gradient. It then studies the physics of the dowser texture, which has remarkable properties. This is of particular interest in regards to nematic monopoles, which can easily be generated, set into motion and collided within it. Finally, this book deals with the spontaneous emergence of chirality in nematics made of achiral molecules, and provides a brief historical context of chirality
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.
This book aims to explain how and why the detailed three-dimensional architecture of molecules can be determined by an analysis of the diffraction patterns obtained when X rays or neutrons are scattered by the atoms in single crystals. Part 1 deals with the nature of the crystalline state, diffraction generally, and diffraction by crystals in particular, and, briefly, the experimental procedures that are used. Part II examines the problem of converting the experimentally obtained data into a model of the atomic arrangement that scattered these beams. Part III is concerned with the techniques for refining the approximate structure to the degree warranted by the experimental data. It also describes the many types of information that can be learned by modern crystal structure analysis. There is a glossary of terms used and several appendixes to which most of the mathematical details have been relegated.
Crystal Structure Refinement is a mixture of textbook and tutorial. As A Crystallographers Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been much addressed by textbooks so far. After an introduction to SHELXL in the first chapter, a brief survey of crystal structure refinement is provided. Chapters three and higher address the various aspects of structure refinement, from the treatment of hydrogen atoms to the assignment of atom types, to disorder, to non-crystallographic symmetry and twinning. One chapter is dedicated to the refinement of macromolecular structures and two short chapters deal with structure validation (one for small molecule structures and one for macromolecules). In each of the chapters the book gives refinement examples, based on the program SHELXL, describing every problem in detail. It comes with a CD-ROM with all files necessary to reproduce the refinements.
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.
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.