This concise book is for chemists, material scientists, and physicists who deal with description of crystalline matter and the determination of its structure, and would like to gain more understanding of the principles involved. The main purpose of the book is to introduce the reader to principles of crystallographic symmetry, to discuss some traditional, as well as modern, experimental techniques, to formulate the phase problem of crystallography, and present in some detail the methods for its indirect and direct solution which are indispensable for further work. The book also contains discussions of structure-factor statistics, of value for resolving space-group ambiguities, and atomic displacement parameters which form an inseparable part of the structure. A discussion of the refinement of structural parameters, conventional, constrained and restrained, concludes the book. Derivations are, as far as possible, self contained and wherever mathematical detail might disrupt the line of reasoning the reader is referred to one of four appendices present in the book. The book is of course valuable for students of crystallography at a graduate and upper undergraduate level. No previous course on crystallography is a prerequisite for graduates in the above fields.

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.

The renowned Oxford Chemistry Primers series, which provides focused introductions to a range of important topics in chemistry, has been refreshed and updated to suit the needs of today's students, lecturers, and postgraduate researchers. The rigorous, yet accessible, treatment of each subject area is ideal for those wanting a primer in a given topic to prepare them for more advanced study or research. Moreover, cutting-edge examples and applications throughout the texts show the relevance of the chemistry being described to current research and industry. Learning features provided in the primers, including questions at the end of every chapter and interactive online MCQs, encourage active learning and promote understanding. Furthermore, frequent diagrams, margin notes, further reading, and glossary definitions all help to enhance a student's understanding of these essential areas of chemistry. This primer provides a succinct account of the technique of X-ray crystallography for determining structure in the solid state. Engaging examples of practical applications are described throughout, emphasising the importance of this field to modern research and industry. Furthermore, end of chapter exercises and online multiple choice questions enable students to test their own understanding of the subject. Online Resource Centre The Online Resource Centre to accompany X-Ray Crystallography features: For registered adopters of the text: * Figures from the book available to download For students: * Downloadable CIF data files * Multiple-choice questions for self-directed learning * Full worked solutions to the end-of-chapter exercises

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.

Basic Crystallography J. -J. Rousseau Department of Physics, University of Maine, Le Mans, France Translated from the French by A. James, University of Picardie, France Basic Crystallography deals with the basic principles of geometrical crystallography which are introduced through the study of lattices, symmetry operations and the enumeration and construction of point groups and space groups. Stereographic projection is used to enable students to visualise crystallographic structures in real space. The author devotes the second part of the book to X-ray crystallography, showing how different diffraction directions depend on the lattice and how spot intensities are related to the unit-cell. To give students an understanding of the principles of structural determination, the classical techniques of diffraction and methods of interpreting spectra are examined. To tackle the more challenging aspects of the subject, help is given to the student in the form of exercises with answers and a computer disk accompanies the book allowing readers to work through exercises and plot their own crystallographic data. Written primarily for final year undergraduate students of physics, chemistry, materials science and geometry the book will also be useful for engineering students.

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.

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.

This book is important because it is the first textbook in an area that has become very popular in recent times. There are around 250 research groups in crystal engineering worldwide today. The subject has been researched for around 40 years but there is still no textbook at the level of senior undergraduates and beginning PhD students. This book is expected to fill this gap.

The writing style is simple, with an adequate number of exercises and problems, and the diagrams are easy to understand. This book consists major areas of the subject, including organic crystals and co-ordination polymers, and can easily form the basis of a 30 to 40 lecture course for senior undergraduates.

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.

1. Historisme UEbersimt Die Entdeckung der Radioaktivitat hat, wie im Weltbild der Physik uberhaupt, so auch in unseren Anschauungen uber den Energiehaushalt der Erde eine Revolution bewirkt. Statt auf einen von der Sonne mit- gegebenen Warmevorrat angewiesen zu sein, der sich notwendigerweise durch Ausstrahlung verringern musste, verfugt die Erde uber eine fort- wirkende Energiequelle in ihrem Inneren, die dem Kernzerfall der radio- aktiven Bestandteile der Erdrinde entstammt. Damit wurden nicht nur die alten, auf der unkompensierten Ausstrahlung beruhenden Berechnungen des Alters der Erde uber den Haufen geworfen, sondern wir wissen nun auch, dass die Erdrinde mit allen ihren Mineralien standig einer radio- aktiven Strahlung ausgesetzt ist, deren Wirkung in verschiedener Hinsicht nicht zu vernachlassigen ist. Wir kennen aus Laboratoriumsversuchen ausser der Warmewirkung der radioaktiven Strahlungen, die fur den Warmehaushalt der Erde massgebend ist, auch noch ihre Eingriffe in die innere Struktur der Koerper, die sich in Ionisation, manchmal auch in Farbung und Lumineszenz aussert, ja bis zur Zerstoerung des Kristall- gefuges fester Koerper fuhren kann. Welche dieser Wirkungen wir in der Natur vorfinden werden, wird einerseits von dem untersuchten Mineral abhangen, andererseits von der Intensitat der radioaktiven Strahlung in demselben. Besonders die Farbungen gewisser Mineralien koennen als Anzeichen einer radioaktiven Einwirkung angesehen werden, so die sogenannten pleochroitischen Hoefe, die ihre radioaktive Herkunft schon durch die UEbereinstimmung ihrer Radien mit den Reichweiten der a-Strahlen verraten, aber auch andere dilute Farbungen, wie etwa jene des blauen Steinsalzes. Es ist ein Verdienst des Wiener Mineralogen C.