The International School on Crystallographic Computing was held at the Bischenberg Congress Center, close to Strasbourg, in 1990. This was the twelfth such school organized since 1960 under the auspices of the IUCR Commission of crystallographic computing. The school was a satellite meeting to the XVth Congress of the International Union of Crystallography in Bordeaux, at which lecturers and tutors gave conferences and demonstrated their programs. In selecting the contents of the school, the program committee took into account the increasing emphasis on the study of macromolecules of biological interests, a natural progression of the clear success of crystallographic methodology in small molecule crystallography. Themes covered include synchrotron data collection, the potentiality of imaging plate technology coupled with efficient software, maximum entropy phasing methods, refinement using molecular dynamics, and map interpretation using structural databases. This is the latest volume in a series of highly regarded volumes based on lectures given at the International School of Computational Crystallography. Here, international contributors have collaborated to provide a unique record of the state-of-the-art in this important area of 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.

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.

The pharmaceutical industry has become acutely aware of the importance of the solid state, but pharmaceutical scientists often lack specific training in topics related to solid-state structure and crystallography. This book provides needed support in this topical area. Taking an intuitive and informal approach to solid-state structure and crystallographic concepts, this book is written for anyone who needs a clear understanding of modern crystallography, with specific reference to small-molecule pharmaceutical solids. The author describes molecular crystals and crystal structures, symmetry, space groups, single-crystal and powder X-ray diffraction techniques and the analysis and interpretation of crystallographic data. Useful technical details are presented where necessary and case studies from the pharmaceutical literature put theory into a practical context. Written by an internationally leading figure and with its focus on molecular crystals, this book is equally applicable to chemists with a need to understand and apply X-ray crystal-structure determination.

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.

This book invites you on a systematic tour through the fascinating world of crystals and their symmetries. The reader will gain an understanding of the symmetry of external crystal forms (morphology) and become acquainted with all the symmetry elements needed to classify and describe crystal structures. The book explains the context in a very vivid, non-mathematical way and captivates with clear, high-quality illustrations. Online materials accompany the book; including 3D models the reader can explore on screen to aid in the spatial understanding of the structure of crystals. After reading the book, you will not only know what a space group is and how to read the International Tables for Crystallography, but will also be able to interpret crystallographic specifications in specialist publications. If questions remain, you also have the opportunity to ask the author on the book's website.

The scanning tunnelling microscope (STM) was invented by Binnig and Rohrer and received a Nobel Prize of Physics in 1986. Together with the atomic force microscope (AFM), it provides non-destructive atomic and subatomic resolution on surfaces. Especially, in recent years, internal details of atomic and molecular wavefunctions are observed and mapped with negligible disturbance. Since the publication of its first edition, this book has been the standard reference book and a graduate-level textbook educating several generations of nano-scientists. In Aug. 1992, the co-inventor of STM, Nobelist Heinrich Rohrer recommended: "The Introduction to Scanning tunnelling Microscopy by C.J. Chen provides a good introduction to the field for newcomers and it also contains valuable material and hints for the experts". For the second edition, a 2017 book review published in the Journal of Applied Crystallography said "Introduction to Scanning tunnelling Microscopy is an excellent book that can serve as a standard introduction for everyone that starts working with scanning probe microscopes, and a useful reference book for those more advanced in the field". The third edition is a thoroughly updated and improved version of the recognized "Bible" of the field. Additions to the third edition include: theory, method, results, and interpretations of the non-destructive observation and mapping of atomic and molecular wavefunctions; elementary theory and new verifications of equivalence of chemical bond interaction and tunnelling; scanning tunnelling spectroscopy of high Tc superconductors; imaging of self-assembled organic molecules on the solid-liquid interfaces. Some key derivations are rewritten using mathematics at an undergraduate level to make it pedagogically sound.

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.

This book features the essential material for any graduate or advanced undergraduate course covering solid-state electrochemistry. It provides the reader with fundamental course notes and numerous solved exercises, making it an invaluable guide and compendium for students of the subject. The book places particular emphasis on enhancing the reader's expertise and comprehension of thermodynamics, the Kroeger-Vink notation, the variation in stoichiometry in ionic compounds, and of the different types of electrochemical measurements together with their technological applications. Containing almost 100 illustrations, a glossary and a bibliography, the book is particularly useful for Master and PhD students, industry engineers, university instructors, and researchers working with inorganic solids in general.

This book shows how the fundamentals of electron paramagnetic resonance (EPR) spectroscopy are practically implemented and illustrates the diversity of current applications. The technique is used at various levels, and applications are presented in order of increasing difficulty, with reference to theoretically obtained results. This book features a diverse array of application examples, from fields such as ionizing radiation dosimetry, neurodegenerative diseases, structural transitions in proteins, and the origins of terrestrial life. The final chapter of this book highlights the principles and applications of the technique of ferromagnetic resonance spectroscopy, followed by a brief introduction to advanced EPR techniques such as electron spin echo envelope modulation (ESEEM), hyperfine sub-level correlation (HYSCORE), pulsed electron-electron double resonance (PELDOR), and continuous wave electron nuclear double resonance (ENDOR) experiments.

Zeitschrift fur Kristallographie. Supplement Volume 41 presents the complete Abstracts of all contributions to the 29th Annual Conference of the German Crystallographic Society in Hamburg (Germany) 2021: - Plenary Talks - Microsymposia - Poster Session Supplement Series of Zeitschrift fur Kristallographie publishes Abstracts of international conferences on the interdisciplinary field of crystallography.

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.

Clear, concise explanation of the logical development of basic crystallographic concepts. Extensive discussion of crystals and lattices, symmetry, crystal systems and geometry, x-ray diffraction, determination of atomic positions and more. Well-chosen selection of problems, with answers. Ideal for a course in crystallography or as a supplement to physical chemistry courses. "This is truly a delightful monograph"-Canadian Chemical Education. 1969 edition. 114 illustrations.

Zeitschrift fur Kristallographie. Supplement Volume 40 presents the complete Abstracts of all contributions to the Joint Polish-German Crystallographic Meeting in Wroclaw (Poland) 2020: - Plenary Talks - Microsymposia - Poster Session Supplement Series of Zeitschrift fur Kristallographie publishes Abstracts of international conferences on the interdisciplinary field of crystallography.

With a focus on portland cement, the book systematically illustrates the composition, properties, and applications of different kinds of cementitious materials, and presents their reaction during the hydration and hardening process. The production technique and applied technology are also discussed with examples. Exercises are added in each chapter, making the work an essential textbook for students.

This book consists of over 422 problems and their acceptable answers on structural inorganic chemistry at the senior undergraduate and beginning graduate level. The central theme running through these questions is symmetry, bonding and structure: molecular or crystalline. A wide variety of topics are covered, including Electronic States and Configurations of Atoms and Molecules, Introductory Quantum Chemistry, Atomic Orbitals, Hybrid Orbitals, Molecular Symmetry, Molecular Geometry and Bonding, Crystal Field Theory, Molecular Orbital Theory, Vibrational Spectroscopy, Crystal Structure, Transition Metal Chemistry, Metal Clusters: Bonding and Reactivity, and Bioinorganic Chemistry. The questions collected here originate from the examination papers and take-home assignments arising from the teaching of courses in Chemical Bonding, Elementary Quantum Chemistry, Advanced Inorganic Chemistry, and X-Ray Crystallography by the book's two senior authors over the past five decades. The questions have been tested by generations of students taking these courses. The questions in this volume cover essentially all the topics in a typical course in structural inorganic chemistry. The text may be used as a supplement for a variety of inorganic chemistry courses at the senior undergraduate level. It also serves as a problem text to accompany the book Advanced Structural Inorganic Chemistry, co-authored by W.-K. Li, G.-D. Zhou, and T. C. W. Mak (Oxford University Press, 2008).

In this thesis Johanna Bruckner reports the discovery of the lyotropic counterpart of the thermotropic SmC* phase, which has become famous as the only spontaneously polarized, ferroelectric fluid in nature. By means of polarizing optical microscopy, X-ray diffraction and electro-optic experiments she firmly establishes aspects of the structure of the novel lyotropic liquid crystalline phase and elucidates its fascinating properties, among them a pronounced polar electro-optic effect, analogous to the ferroelectric switching of its thermotropic counterpart. The helical ground state of the mesophase raises the fundamental question of how chiral interactions are "communicated" across layers of more or less disordered and achiral solvent molecules which are located between adjacent bi-layers of the chiral amphiphile molecules. This thesis bridges an important gap between thermotropic and lyotropic liquid crystals and pioneers a new field of liquid crystal research.

"This book contains overviews on technologically important classes of glasses, their treatment to achieve desired properties, theoretical approaches for the description of structure-property relationships, and new concepts in the theoretical treatment of crystallization in glass-forming systems. It contains overviews about the state of the art and about specific features for the analysis and application of important classes of glass-forming systems, and describes new developments in theoretical interpretation by well-known glass scientists. Thus, the book offers comprehensive and abundant information that is difficult to come by or has not yet been made public." Edgar Dutra Zanotto (Center for Research, Technology and Education in Vitreous Materials, Brazil) Glass, written by a team of renowned researchers and experienced book authors in the field, presents general features of glasses and glass transitions. Different classes of glassforming systems, such as silicate glasses, metallic glasses, and polymers, are exemplified. In addition, the wide field of phase formation processes and their effect on glasses and their properties is studied both from a theoretical and experimental point of view.

This comprehensive text covers the basic physics of the solid state starting at an elementary level suitable for undergraduates but then advancing, in stages, to a graduate and advanced graduate level. In addition to treating the fundamental elastic, electrical, thermal, magnetic, structural, electronic, transport, optical, mechanical and compositional properties, we also discuss topics like superfluidity and superconductivity along with special topics such as strongly correlated systems, high-temperature superconductors, the quantum Hall effects, and graphene. Particular emphasis is given to so-called first principles calculations utilizing modern density functional theory which for many systems now allow accurate calculations of the electronic, magnetic, and thermal properties.

This second edition is fully updated to include new developments in the study of metamorphism as well as enhanced features to facilitate course teaching. It integrates a systematic account of the mineralogical changes accompanying metamorphism of the major rock types with discussion of the conditions and settings in which they formed. The use of textures to understand metamorphic history and links to rock deformation are also explored. Specific chapters are devoted to rates and timescales of metamorphism and to the tectonic settings in which metamorphic belts develop. These provide a strong connection to other parts of the geology curriculum. Key thermodynamic and chemical concepts are introduced through examples which demonstrate their application and relevance. Richly illustrated in colour and featuring end-of-chapter and online exercises, this textbook is a comprehensive introduction to metamorphic rocks and processes for undergraduate students of petrology, and provides a solid basis for advanced study and research.