International Tables for Crystallography, Definition and Exchange of Crystallographic Data
International Tables for Crystallography, Definition and Exchange of Crystallographic Data

Author: Sydney R. Hall

Publisher: Springer Science & Business Media

Published: 2005-08-19

Total Pages: 609

ISBN-13: 1402031386

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International Tables for Crystallography Volume G, Definition and exchange of crystallographic data, describes the standard data exchange and archival file format (the Crystallographic Information File, or CIF) used throughout crystallography. It provides in-depth information vital for small-molecule, inorganic and macromolecular crystallographers, mineralogists, chemists, materials scientists, solid-state physicists and others who wish to record or use the results of a single-crystal or powder diffraction experiment. The volume also provides the detailed data ontology necessary for programmers and database managers to design interoperable computer applications. The accompanying CD-ROM contains the CIF dictionaries in machine-readable form and a collection of libraries and utility programs. This volume is an essential guide and reference for programmers of crystallographic software, data managers handling crystal-structure information and practising crystallographers who need to use CIF.

Understanding Single-Crystal X-Ray Crystallography
Understanding Single-Crystal X-Ray Crystallography

Author: Dennis W. Bennett

Publisher: John Wiley & Sons

Published: 2010-03-08

Total Pages: 826

ISBN-13: 3527326774

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The first textbook for teaching this method to users with little mathematical background logically presents the theory and fundamentals in an easily comprehensible, self-contained way. The result is a must-have for advanced undergraduate students, as well as masters and graduate students and other users of single-crystal X-ray crystallography from many various disciplines.

Crystallography
Crystallography

Author: Walter Borchardt-Ott

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 314

ISBN-13: 3662006081

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As a self-study guide, course primer or teaching aid, Bor- chardt-Ott's Crystallography is the perfect textbook for students and teachers alike. In fact, it can be used by chemists, mineralogists, physicists and geologists. Based on the author's more than 20 years of teaching experience, the book has numerous line drawings designed especially for the text and a large number of exercises - with solutions - at the end of each chapter. The fourth edition of the original German text has been translated into English for an international readership. The heart of the book is firmly fixed in geometrical crystallography. It is from the concept of the space lattice that symmetry operations, Bravais lattices, space groups and point groups are all developed. Molecular symmetry and crystal formsare treated. Much emphasis is placed on the correspondence between point groups and space groups. The sections on crystal chemistry and X-ray diffraction are intended as an introduction to these fields.

International Tables for Crystallography, Definition and Exchange of Crystallographic Data
International Tables for Crystallography, Definition and Exchange of Crystallographic Data

Author: Sydney Hall

Publisher: John Wiley & Sons

Published: 2005-10-07

Total Pages: 611

ISBN-13: 0470689102

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International Tables for Crystallography is the definitive resource and reference work for crystallography and structural science. Each of the volumes in the series contains articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials. Emphasis is given to symmetry, diffraction methods and techniques of crystal-structure determination, and the physical and chemical properties of crystals. The data are accompanied by discussions of theory, practical explanations and examples, all of which are useful for teaching. Volume G deals with methods and tools for organizing, archiving and retrieving crystallographic data. The volume describes the Crystallographic Information File (CIF), the standard data exchange and archival file format used throughout crystallography. The volume is divided into five parts: Part 1 – An introduction to the development of CIF. Part 2 – Details concepts and specifications of the files and languages. Part 3 – Discusses general considerations when defining a CIF data item and the classification and use of data. Part 4 - Defines all the data names for the core and other dictionaries. Part 5 - Describes CIF applications, including general advice and considerations for programmers. The accompanying software includes the CIF dictionaries in machine-readable form and a collection of libraries and utility programs. Volume G is an essential guide for programmers and data managers handling crystal-structure information, and provides in-depth information vital for recording or using single-crystal or powder diffraction data in small-molecule, inorganic and biological macromolecular structure science. More information on the series can be found at: http://it.iucr.org

X-Ray Diffraction Crystallography
X-Ray Diffraction Crystallography

Author: Yoshio Waseda

Publisher: Springer Science & Business Media

Published: 2011-03-18

Total Pages: 320

ISBN-13: 3642166350

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X-ray diffraction crystallography for powder samples is a well-established and widely used method. It is applied to materials characterization to reveal the atomic scale structure of various substances in a variety of states. The book deals with fundamental properties of X-rays, geometry analysis of crystals, X-ray scattering and diffraction in polycrystalline samples and its application to the determination of the crystal structure. The reciprocal lattice and integrated diffraction intensity from crystals and symmetry analysis of crystals are explained. To learn the method of X-ray diffraction crystallography well and to be able to cope with the given subject, a certain number of exercises is presented in the book to calculate specific values for typical examples. This is particularly important for beginners in X-ray diffraction crystallography. One aim of this book is to offer guidance to solving the problems of 90 typical substances. For further convenience, 100 supplementary exercises are also provided with solutions. Some essential points with basic equations are summarized in each chapter, together with some relevant physical constants and the atomic scattering factors of the elements.

Properties of Materials
Properties of Materials

Author: Robert E. Newnham

Publisher: Oxford University Press

Published: 2005

Total Pages: 391

ISBN-13: 0198520751

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Crystals are sometimes called 'Flowers of the Mineral Kingdom'. In addition to their great beauty, crystals and other textured materials are enormously useful in electronics, optics, acoustics and many other engineering applications. This richly illustrated text describes the underlying principles of crystal physics and chemistry, covering a wide range of topics and illustrating numerous applications in many fields of engineering using the most important materials today. Tensors, matrices, symmetry and structure-property relationships form the main subjects of the book. While tensors and matrices provide the mathematical framework for understanding anisotropy, on which the physical and chemical properties of crystals and textured materials often depend, atomistic arguments are also needed to quantify the property coefficients in various directions. The atomistic arguments are partly based on symmetry and partly on the basic physics and chemistry of materials. After introducing the point groups appropriate for single crystals, textured materials and ordered magnetic structures, the directional properties of many different materials are described: linear and nonlinear elasticity, piezoelectricity and electrostriction, magnetic phenomena, diffusion and other transport properties, and both primary and secondary ferroic behavior. With crystal optics (its roots in classical mineralogy) having become an important component of the information age, nonlinear optics is described along with the piexo-optics, magneto-optics, and analogous linear and nonlinear acoustic wave phenomena. Enantiomorphism, optical activity, and chemical anisotropy are discussed in the final chapters of the book.

Quantities, Units and Symbols in Physical Chemistry
Quantities, Units and Symbols in Physical Chemistry

Author: International Union of Pure and Applied Chemistry. Physical and Biophysical Chemistry Division

Publisher: Royal Society of Chemistry

Published: 2007

Total Pages: 240

ISBN-13: 0854044337

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Prepared by the IUPAC Physical Chemistry Division this definitive manual, now in its third edition, is designed to improve the exchange of scientific information among the readers in different disciplines and across different nations. This book has been systematically brought up to date and new sections added to reflect the increasing volume of scientific literature and terminology and expressions being used. The Third Edition reflects the experience of the contributors with the previous editions and the comments and feedback have been integrated into this essential resource. This edition has been compiled in machine-readable form and will be available online.

Physical Properties of Crystals
Physical Properties of Crystals

Author: Siegfried Haussühl

Publisher: John Wiley & Sons

Published: 2008-07-11

Total Pages: 453

ISBN-13: 3527621164

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Modern semiconductor and laser techniques would be unthinkable today without a highly developed physics of solids. As tailored materials increasingly gain significance, it is more important than ever to understand the basics of crystalline materials and the influence of their symmetry on phenomenological aspects. This first international edition of a classic German standard integrates the latest developments in the field, including two-dimensional crystals and Giant Magneto-Resistance. Its aim is to impart the knowledge necessary to comprehend the manifold peculiarities of crystalline substances in a comprehensive and easily accessible manner. The book devotes much space to a coherent introduction to tensor calculation, making this the first to address the topic in a readily understandable way. Supplemented by 40 exercises with their solutions, this is an ideal textbook for students of physics and chemistry, solid state physicists and chemists, and materials scientists, but also a comprehensive resource for those who wish to get an overview of this important topic.

Data Mining in Crystallography
Data Mining in Crystallography

Author: D. W. M. Hofmann

Publisher: Springer

Published: 2009-12-24

Total Pages: 181

ISBN-13: 3642047599

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Humans have been “manually” extracting patterns from data for centuries, but the increasing volume of data in modern times has called for more automatic approaches. Early methods of identifying patterns in data include Bayes’ theorem (1700s) and Regression analysis (1800s). The proliferation, ubiquity and incre- ing power of computer technology has increased data collection and storage. As data sets have grown in size and complexity, direct hands-on data analysis has - creasingly been augmented with indirect, automatic data processing. Data mining has been developed as the tool for extracting hidden patterns from data, by using computing power and applying new techniques and methodologies for knowledge discovery. This has been aided by other discoveries in computer science, such as Neural networks, Clustering, Genetic algorithms (1950s), Decision trees (1960s) and Support vector machines (1980s). Data mining commonlyinvolves four classes of tasks: • Classi cation: Arranges the data into prede ned groups. For example, an e-mail program might attempt to classify an e-mail as legitimate or spam. Common algorithmsinclude Nearest neighbor,Naive Bayes classi er and Neural network. • Clustering: Is like classi cation but the groups are not prede ned, so the algorithm will try to group similar items together. • Regression: Attempts to nd a function which models the data with the least error. A common method is to use Genetic Programming. • Association rule learning: Searches for relationships between variables. For example, a supermarket might gather data of what each customer buys.

Introduction to Crystallography
Introduction to Crystallography

Author: Frank Hoffmann

Publisher: Springer Nature

Published: 2020-07-31

Total Pages: 309

ISBN-13: 3030351106

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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.