This sixth edition of what was previously known as the Brief Teaching Edition of Volume A provides an introduction to the basic crystallographic data for space groups found in Volume A, for symmetry relations between space groups in Volume A1 and for subperiodic groups in Volume E of International Tables for Crystallography, to magnetic space groups and to the symmetry database that forms part of International Tables Online at https: //it.iucr.org. It is designed for graduate students and young researchers who are new to the field of crystallographic symmetry, and includes many illustrative examples to help readers to understand and use these different kinds of information. Selected tables of symmetry data from the full volumes in the series are also included, making this a handy aid for classroom teaching. References are also provided to further specialized sources for those who need to go deeper into the subject and to textbooks for those who need more background information.

This book describes how the arrangement and movement of atoms in a solid are related to the forces between atoms, and how they affect the behaviour and properties of materials. The book is intended for final year undergraduate students and graduate students in physics and materials science.

Das Buch bietet zunachst eine analytische Beschreibung von Grundwasserstroemungsprozessen in der gesattigten bzw. ungesattigten Zone. Es folgt die numerische Behandlung von Grundwasserstroemungen sowie die darauf aufbauende Entwicklung beispielhafter Modelle. Ein zweiter Teil beinhaltet die Stoffausbreitungsprozesse im Grundwasser. Hier steht zunachst die analytische Beschreibung von Transport-, Sorptions-, Abbau- und Produktionsprozessen im Vordergrund. Anschliessend erfolgt die numerische Umsetzung der Prozesse und die Ableitung beispielhafter Ausbreitungsmodelle. Die beiliegende CD-ROM bietet eine Auswahl an Stroemungs- und Ausbreitungsmodellen zur Veranschaulichung u. zu UEbungszwecken.

Die AEtzung als gezielte Anloesung einer Kristallflache zum Zwecke der Erken- nung der Symmetrie und unter Umstanden der chemischen Zusammensetzung ebendieser Flache geht vermutlich auf Daniell (1816) zuruck. In der Folgezeit beschaftigte sich eine Vielzahl von Mineralogen und Physikern mit AEtzexperi- menten an den unterschiedlichsten naturlichen Substanzen. Mehr und mehr wurde die AEtzmethode zum geeigneten Werkzeug, das es gestattete, in der Zeit vor der Entdeckung der Roentgenstrahlen uber Symmetriemehrdeutigkeiten von Kristallen zu entscheiden. Die Monographie von Baumhauer (1894) gibt davon eindrucksvoll Kenntnis. Mit der Entdeckung der Roentgenstrahlen und ihrer Anwendung zur Struktur- untersuchung von Kristallen trat die AEtzmethode naturgemass in den Hintergrund und wurde gewissermassen zur teilweise belachelten Marotte einiger weniger Mineralogen, bis, Anfang der funfziger Jahre, vor allem von Amelinckx und Gilman der Zusammenhang zwischen Versetzungsstruktur und AEtzgrubenver- teilung klar und uberzeugend herausgestellt wurde. So fand der Umschlag vom makroskopischen Konzept der Symmetrieerkennung zum mikroskopischen Kon- zept der Darstellung der Versetzungsstruktur eines Kristalls statt. AEtzung wurde nun zu einer Methode der Beschreibung des Realkristalls mit allen seinen Bau- fehlern, so wie er dem Festkoerperchemiker und -physiker entgegentritt. Dem beabsichtigten und gezielten Effekt der AEtzung steht der unbeabsichtigte und zufallige Angriff einer Feststoffoberflache durch Korrosion gegenuber. Daher ist "Korrosion" im engeren Sinn nicht Thema der vorliegenden Monographie.

This volume is part 2 of a comprehensive treatise on the theory and applications of electron-diffraction techniques, and has been organized under the auspices of the Electron Diffraction Commission of the International Union of Crystallography.

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.

How do crystals nucleate and grow? Why and how do crystals form such a wide variety of morphologies, from polyhedral to dendritic and spherulitic forms? These are questions that have been posed since the seventeenth century, and are still of vital importance today both for modern technology, and to understand the Earth's interior and the formation of minerals by living organisms. In this book, Ichiro Sunagawa sets out clearly the atomic processes behind crystal growth, and describes case studies of complex systems from diamond, calcite and pyrite, to crystals formed through biomineralization, such as the aragonite of shells, and apatite of teeth. Essential reading for advanced graduates and researchers in mineralogy and materials science.

This book is divided in two parts. Part I 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: quantum chemistry, the intermolecular potential, force field and molecular dynamics methods, structural correlation, and thermodynamics. This Part is written in simple and intuitive form, so that the reader may easily find there the essential background for the discussions in the second part. Part II exposes the present status of studies in the analysis, categorization, prediction and control, at a molecular level, of intermolecular interactions in liquids, solutions, mesophases, and crystals. The main focus is here on the links between energies, structures, and chemical or physical properties.

Theoretical and experimental advances in the techniques available for solving crystal structures have led to the development of several powerful techniques for solving complex structures, including those of proteins. In this 1995 book, Michael Woolfson and Fan Hai-Fu describe all the available methods and how they are used. In addition to traditional methods such as the use of the Patterson function and isomorphous replacement, and the direct methods, the authors include methods that use anomalous scattering and observations from multiple-beam scattering. The fundamental physics and mathematical analyses are fully explained. Practical aspects of applying the methods are emphasised.

This highly illustrated monograph provides a comprehensive treatment of the study of the structure and function of the molecules of life--proteins, nucleic acids, and viruses--using synchrotron radiation and crystallography. Beginning with chapters on the fundamentals of macromolecular crystallography and macromolecular structure, the book goes on to review the sources and properties of synchrotron radiation, instrumentation, and monochromatic data collection. There are also chapters on the Laue method, on diffuse X-ray scattering, and on variable wavelength anomalous dispersion methods. The book concludes with a description and survey of applications including studies at high resolution, the use of small crystals, the study of large unit cells, and time-resolved crystallography (particularly of enzymes). Appendices are provided that present essential information for the synchrotron user as well as information about synchrotron facilities currently available.

Die moderne Werkstofftechnologie ist dadurch gekennzeichnet, dass sie in weit groesserem Masse, als es fruher moeglich schien, metastabile Zustande fur die Herstellung von Legierungen und eine damit verbundene Gefuge-Optimierung einsetzen kann. Beispiele sind das mechanische Legieren oder etwa die Erstarrung aus tief unterkuhlten Schmelzen. Die Verwendung ungewoehnlicher Tie- gelmaterialen (z. B. der Aerogele), behalterfreie Verfahren oder das Erschmelzen unter Schwere- losigkeit gestatten neue Einblicke, neue Anwendungsmoeglichkeiten und weiteres Entwicklungs- potential auf sehr breiter Front, auch in Richtung praktischer Fragestellungen. Weiterhin ist an- zumerken, dass die moderne rechnerische Simulation von Giess- und Erstarrungsvorgangen insbe- sondere in der erstarrungstechnologischen Industrie einen Entwicklungsschub hervorruft, der auf einer gesunden theoretischen Basis aufbaut. Diese Entwicklung fuhrt zu innovativen Werkstoffen und neuartigen Bauteilen, welche beide unter Nutzung ebenfalls entsprechend modifizierter Pro- zesstechniken entstehen. Die dafur erforderliche theoretische Grundlage profitiert insbesondere von einem Zusammenwirken mehrerer wissenschaftlicher Disziplinen. Die organisatorische und finanzielle Grundlage fur eine solche interdisziplinare Zusammen- arbeit wurde 1993 durch die Einrichtung des Graduiertenkollegs "Schmelze, Erstarrung, Grenz- flachen" geschaffen. Das Kolleg wurde begleitet von einer Vorlesungsreihe, die die Fachgebiete der beteiligten Institute, ihrer Stipendiaten und Kollegiaten widerspiegelt. Von der Thermodyna- mik der Schmelze, der Fluiddynamik und Transportphanomenen uber die Kinetik der Erstarrung, mit eingeschlossen auch Seigerungsvorgange sowie die damit verbundenen Wachstumsfrontmor- phologien, bis hin zu Vorgangen im Festkoerper, insbesondere ausgeloest durch Grenzflachen (Ost- waldreifung, Korngrenzendynamik), wurde vieles verknupft, was nicht oft in einem Atemzug ge- nannt wird. Auch technologische Fragestellungen wurden nicht ausgelassen, wie beispielsweise die Prozesse in der Giessereitechnik.

How can elements be combined to produce a solid with specified properties? This book acquaints readers with the established principles of crystallography and cohesive forces needed to address the fundamental relationship among composition, structure and bonding. Starting with an introduction to periodic trends, the book discusses crystal structures and the various primary and secondary bonding types, and finishes by describing a number of models for predicting phase stability and structure. Its large number of worked examples, exercises, and detailed descriptions of numerous crystal structures make this an outstanding advanced undergraduate or graduate-level textbook for students of materials science.

Dieses Lehrbuch bietet eine gut verstAndliche EinfA1/4hrung in die FestkArperchemie. ZunAchst werden die klassischen Grundlagen, wie Kristallstrukturen und deren elektronische Eigenschaften, erlAutert. Interessante Eigenschaften der FestkArper wie die LeitfAhigkeit fA1/4hrten zu Anwendungen und Erforschung dieser Substanzen in den Materialwissenschaften. Daher befassen sich die Autoren intensiv mit SupraleitfAhigkeit, Batterien, Katalysatoren, Halbleiter- und Lasertechnikanwendungen.

The study of solids is one of the richest, most exciting, and most successful branches of physics. While the subject of solid state physics is often viewed as dry and tedious this new book presents the topic instead as an exciting exposition of fundamental principles and great intellectual breakthroughs. Beginning with a discussion of how the study of heat capacity of solids ushered in the quantum revolution, the author presents the key ideas of the field while emphasizing the deep underlying concepts. The book begins with a discussion of the Einstein/Debye model of specific heat, and the Drude/Sommerfeld theories of electrons in solids, which can all be understood without reference to any underlying crystal structure. The failures of these theories force a more serious investigation of microscopics. Many of the key ideas about waves in solids are then introduced using one dimensional models in order to convey concepts without getting bogged down with details. Only then does the book turn to consider real materials. Chemical bonding is introduced and then atoms can be bonded together to crystal structures and reciprocal space results. Diffraction experiments, as the central application of these ideas, are discussed in great detail. From there, the connection is made to electron wave diffraction in solids and how it results in electronic band structure. The natural culmination of this thread is the triumph of semiconductor physics and devices. The final section of the book considers magnetism in order to discuss a range of deeper concepts. The failures of band theory due to electron interaction, spontaneous magnetic orders, and mean field theories are presented well. Finally, the book gives a brief exposition of the Hubbard model that undergraduates can understand. The book presents all of this material in a clear fashion, dense with explanatory or just plain entertaining footnotes. This may be the best introductory book for learning solid state physics. It is certainly the most fun to read.

This text discusses the physical principles of how and why crystals grow. It introduces the fundamental properties of crystal surfaces at equilibrium, and describes simple models and basic concepts of crystal growth including diffusion, thermal smoothing of a surface, and applications to semiconductors. It also covers more complex topics such as kinetic roughness, growth instabilities, and elastic effects, as well as the crucial contributions of crystal growth in electronics during this century. The book focuses on growth using molecular beam epitaxy. Throughout, the emphasis is on the role played by modern statistical physics. Informative appendices, interesting exercises and an extensive bibliography reinforce the text.

A textbook for the senior undergraduate or graduate student beginning a serious study of X-ray crystallography. It will be of interest both to those intending to become professional crystallographers and to those physicists, chemists, biologists, geologists, metallurgists and others who will use it as a tool in their research. All major aspects of crystallography are covered--the geometry of crystals and their symmetry, theoretical and practical aspects of diffracting X-rays by crystals and how the data may be analyzed to find the symmetry of the crystal and its structure. Includes recent advances such as the synchrotron as a source of X-rays, methods of solving structures from power data and the full range of techniques for solving structures from single-crystal data. Computer programs are provided for carrying out many operations of data-processing and solving crystal structures including by direct methods. These programs are required for many of the examples given at the end of each chapter but can be used to create new examples by which students can test themselves or each other.

Theoretical and experimental advances in the techniques available for solving crystal structures have led to the development of several powerful techniques in crystallography for solving complex structures, including those of proteins. Michael Woolfson and Fan Hai-fu describe all the available methods and how they are used. In addition to traditional methods such as the use of the Patterson function and isomorphous replacement, and direct methods, the authors include methods that use anomalous scattering and observations from multiple-beam scattering. The fundamental physics and mathematical analyses are fully explained. Practical aspects of applying the methods are emphasised. This book will be valuable to working crystallographers and to graduate students who are being introduced to the problems of solving crystal structures.

This book describes the chemical and physical structure of molecular crystals, their optical and electronic properties, and the reactions between neighboring molecules in crystals. In the second edition, the author has taken into account research that has undergone extremely rapid development since the first edition was published in 1987. For instance, he gives extensive coverage to the applications of molecular materials in high-technology devices (e.g. optical communications, laser printers, photocopiers, liquid crystal displays, solar cells, and more). There is also an entirely new chapter on the recently discovered Buckminsterfullerene carbon molecule (C60) and organic non-linear optic materials.

Over the past several decades, a This book deals with the characterisation of the structure, the structure determination and the study of the physical properties, especially dynamical and electronic properties of aperiodic crystals. The treatment is based on a description in a space with more dimensions than three, the so-called superspace. This allows us to generalise the standard crystallography and to look differently at the dynamics. The three main classes of aperiodic crystals, modulated phases, incommensurate composites and quasicrystals are treated from a unified point of view, which stresses similarities of the various systems. The book assumes as a prerequisite a knowledge of the fundamental techniques of crystallography and the theory of condensed matter, and covers the literature at the forefront of the field. Since the first edition of this book in 2007, the field of aperiodic crystals has developed considerably, with the discovery of new materials and new structures. Progress has been made in structure determination, in the interpretation and understanding of the structural characteristics and in the calculation of electrons and phonons. This new edition reflects these new developments, and it includes discussions of natural quasicrystals, incommensurate magnetic and multiferroic structures, photonic and mesoscopic quasicrystals. The second edition also includes a number of new exercises that give the reader an opportunityt to check their understanding of the material.

The prediction of crystal structures from first principles has been one of the grand challenges for computational methods in chemistry and materials science. The goal of being able to reliably predict crystal structures at an atomistic level of detail, given only the chemical composition as input, presents several challenges. A solution to the crystal structure prediction challenge requires advances in several areas of computational chemistry. Theoretical chemists have naturally been drawn to these challenges from an academic perspective, while the development of methods for solving the problem of crystal structure prediction has also been motivated by a growing range of applications where reliable structure prediction is sought and could guide experimentation. Crystal structure predictions have been used to study organic molecules such as polymorphism of pharmaceutical molecules, where changes in crystal form can lead to changes in important physical and chemical properties, which must be strictly controlled in a pharmaceutical product, or inorganic materials where the discovery and computational design of new materials with targeted properties, such as porosity, electronic or mechanical properties are necessary. However, the communities addressing methods and applications in organic and inorganic crystal structure prediction have largely remained separate, due to the different approaches that have been used in these two areas. The community as a whole will benefit from the cross-fertilisation of ideas and methods in this volume, as well as from bringing theoreticians together with interested experimentalists. The volume will appeal to researchers from computational chemistry, informatics, physics (applying solid state electronic structure methods) and materials science in the development of methods. Applications of the methods also cover several fields, including crystallography, crystal engineering, mineralogy and pharmaceutical materials. This volume gathers key researchers representing the full scientific scope of the topic, including the developers of methods and software, those developing the application of the methods and interested experimentalists who may benefit from advances in predictive computational methods. In this volume the topics covered include: Structure searching methods Crystal structure evaluation: calculating relative stabilities and other criteria Applications of crystal structure prediction - organic molecular structures Applications of crystal structure prediction - inorganic and network structures

To write an introductorytext coveringthe entire field of mineralogy, including crystallography, petrology, and ore deposits, may seem presumptuous to many today. The fact that the author has taught this subject regularly through lectures and Iaboratories for 22 years is not in itself sufficient reason in his view. The motivation to do so arose out of the necessity to provide for students of this science and sister sciences 80 single useful and comprehensive book. Previous texts have been designed with subjects selected to conform to the courses taught at German Universities. It is questionable whether this limitation is still or ever was fortunate. Boundaries between the natural sciences have developed histori- cally and should be maintained, in my opinion, only 80Spracticality dictates, such 80S in teaching. Each science is so intimately linked with its sister science that boundaries tend to disappear. It is known that interdisciplinary approaches frequently promote particularly successful research. Thus, also in the field of mineralogy, the influence of the allied sciences has been of great importance. This is particularly true of the influence of mathematics and physics on crystaIlo- graphy and of geology on petrology. The changing emphasis on the one or the other branches of our science, however, has not always been beneficiaI. For example, it has resulted in judgments such 80S the following, attributed to the renowned mineralogist A. G. WERNER, relative to HAUEY, one of the founders of crystallography. The far-sighted geologist L.