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This book is the first book dealing with structural crystallography of inorganic oxysalts in general. A special emphasis is placed upon structural topology and methods of its description. The latter include graph theory, nets, 2-D and 3-D tilings, polyhedra, etc. The structures considered range from minerals to organically templated oxysalts, for all of which this book provides a unified approach to structure interpretation and classification. Most of the structures have been analysed from the proposed viewpoint for the first time and it has been shown that they possess the same topological genealogy and relationships, sometimes despite their obvious chemical differences. In order to expand the range of oxysalts considered, the book offers not only traditional schemes but also alternative approaches such as anion topologis, anion-centered polyhedra and cation arrays. As such, this book can be considered as a comprehensive introduction into the amazingly complex and diverse world of inorganic oxysalts.
The bond valence model, a description of acid-base bonding, is widely used for analysing and modelling the structures and properties of solids and liquids. Unlike other models of inorganic chemical bonding, the bond valence model is simple, intuitive, and predictive, and is accessible to anyone with a pocket calculator and a secondary school command of chemistry and physics. This new edition of 'The Chemical Bond in Inorganic Chemistry: The Bond Valence Model' shows how chemical properties arise naturally from the conflict between the constraints of chemistry and those of three-dimensional space. The book derives the rules of the bond valence model, as well as those of the traditional covalent, ionic and popular VSEPR models, by identifying the chemical bond with the electrostatic flux linking the bonded atoms. Most of the new edition is devoted to showing how to apply these ideas to real materials including crystals, liquids, glasses and surfaces. The work includes detailed examples of applications, and the final chapter explores the relationship between the flux and quantum theories of the bond.
D. Santamaría-Pérez and F. Liebau : Structural relationships between intermetallic clathrates, porous tectosilicates and clathrates hydrates Vladislav A. Blatov: Crystal structures of inorganic oxoacid salts perceived as cation arrays: a periodic graph approach Ángel Vegas: FeLiPO4: Dissection of a crystal structure. The parts and the whole D. J. M. Bevan, R. L. Martin, Ángel Vegas: Rationalisation of the substructures derived from the three fluorite-related [Li6(MVLi)N4] polymorphs: An analysis in terms of the “Bärnighausen Trees” and of the “Extended Zintl-Klemm Concept” Ángel Vegas: Concurrent pathways in the phase transitions of alloys and oxides: Towards an Unified Vision of Inorganic Solids
In crystal chemistry and crystal physics, the relations between the symmetry groups (space groups) of crystalline solids are of special importance. Part 1 of this book presents the necessary mathematical foundations and tools: the fundamentals of crystallography with special emphasis on symmetry, the theory of the crystallographic groups, and the formalisms of the needed crystallographic computations. Part 2 gives an insight into applications to problems in crystal chemistry. With the aid of numerous examples, it is shown how crystallographic group theory can be used to make evident relationships between crystal structures, to set up a systematic order in the huge amount of known crystal structures, to predict crystal structures, to analyse phase transitions and topotactic reactions in the solid state, to understand the formation of domains and twins in crystals, and to avoid errors in crystal structure determinations. A broad range of end-of-chapter exercises offers the possibility to apply the learned material. Worked-out solutions to the exercises can be found at the end of the book.
Crystallography and diffraction are widely used throughout science for studying structure. The aim of this book is to show, through relevant examples and without relying on complex mathematics, that the basic ideas behind crystallography and diffraction are simple and easily comprehensible.
This book presents the reader with a fresh and unconventional approach to teaching crystallographic symmetry. Whereas traditional crystallography textbooks make a heavy use of algebra and rapidly become very technical, this book adopts in the first few chapters a 'pictorial' approach based on the symmetry diagrams of the International Tables for Crystallography. Readers are led step-by-step through simple 'frieze' and 'wallpaper' patterns, with many examples from the visual arts. At the end of chapter 3 they should be able to identify and analyse all these simple symmetries and apply to them the nomenclature and symbols of the International Tables. Mathematical formalism is introduced later on in the book, and by that time the reader will have gained a solid intuitive grasp of the subject matter. This book will provide graduate students, advanced undergraduate students and practitioners in physics, chemistry, earth sciences and structural biology with a solid foundation to master the International Tables of Crystallography, and to understand the relevant literature.
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.
In the modern world of ever smaller devices and nanotechnology, electron crystallography emerges as the most important method capable of determining the structure of minute objects down to the size of individual atoms. Crystals of only a few millionths of a millimetre are studied. This is the first textbook explaining how this is done. Great attention is given to symmetry in crystals and how it manifests itself in electron microscopy and electron diffraction, and how this symmetry can be determined and taken advantage of in achieving improved electron microscopy images and solving crystal structures from electron diffraction patterns. Theory and practice are combined; experimental images, diffraction patterns, formulae and numerical data are discussed in parallel, giving the reader a complete understanding of what goes on inside the "black boxes" of computer programs. This up-to-date textbook contains the newest techniques in electron crystallography, including detailed descriptions and explanations of the recent remarkable successes in determining the very complex structures of zeolites and intermetallics. The controversial issue of whether there is phase information present in electron micrsocopy images or not is also resolved once and for all. The extensive appendices include computer labs which have been used at various courses at Stockholm University and international schools in electron crystallography, with applications to the textbook. Students can download image processing programs and follow these lab instructions to get a hands-on experience of electron crystallography.
This is one of the first books dedicated to the emerging field of neutron protein crystallography (NPC). The text covers all of the practical aspects of NPC, from the basic background of neutron scattering and diffraction, to the technical details of neutron facilities, growth of high-quality crystals, and data analysis. The final chapter is devoted to providing many examples of using NPC to investigate a wide range of different proteins. It demonstrates how NPC can explore hydrogen bonds, protonation and deprotonation of amino acid residues, hydration structures, and hydrogen-to-deuterium exchange ratios. To avoid redundancy with other textbooks on X-ray protein crystallography (XPC), this book assumes a familiarity with the basics of XPC and strives to highlight and explain the differences between XPC and NPC. It is therefore especially useful for X-ray protein crystallographers who are eager to have a sound, scientific basis for judging if NPC is the right technique for furthering their experimental programs.
The purpose of this book is to explain why molecular structure can be determined by single-crystal diffraction of X rays. It is not an account of the practical procedural details, but rather an account of the underlying physical principles, and the kinds of experiments and methods of handling the experimental data that are used.