International Tables for Crystallography, Definition and Exchange of Crystallographic Data

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

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.

International Tables for Crystallography, Volume C

International Tables for Crystallography, Volume C PDF

Author: A.J.C. Wilson

Publisher: Springer

Published: 1999-06-30

Total Pages: 1000

ISBN-13: 9780792352686

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International Tables for Crystallography are no longer available for purchase from Springer. For further information please contact Wiley Inc. The purpose of Volume C is to provide the mathematical, physical, and chemical information needed for experimental studies in structural crystallography. This new edition features two completely new chapters, on reflectometry and neutron topography. More than half of the text has been revised and updated, and there are extensive updates and corrections to tabular material. Volume C covers all aspects of experimental techniques, using all three principal radiation types, from the selection and mounting of crystals and production of radiation through data collection and analysis to interpretation of results. Audience: The volume is an essential source of information for all workers using crystallographic techniques in physics, chemistry, metallurgy, earth sciences, and molecular biology.

International Tables for Crystallography, Definition and Exchange of Crystallographic Data

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

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

International Tables for Crystallography, Volume B

International Tables for Crystallography, Volume B PDF

Author: Uri Shmueli

Publisher: Springer Science & Business Media

Published: 2008-08-27

Total Pages: 704

ISBN-13: 9781402082054

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International Tables for Crystallography are no longer available for purchase from Springer. For further information please contact Wiley Inc. (follow the link on the right hand side of this page). Volume B presents accounts of the numerous aspects of reciprocal space in crystallographic research. After an introductory chapter, Part 1 presents the reader with an account of structure-factor formalisms, an extensive treatment of the theory, algorithms and crystallographic applications of Fourier methods, and fundamental as well as advanced treatments of symmetry in reciprocal space. In Part 2, these general accounts are followed by detailed expositions of crystallographic statistics, the theory of direct methods, Patterson techniques, isomorphous replacement and anomalous scattering, and treatments of the role of electron microscopy and diffraction in crystal structure determination, including applications of direct methods to electron crystallography. Part 3 deals with applications of reciprocal space to molecular geometry and `best'-plane calculations, and contains a treatment of the principles of molecular graphics and modelling and their applications. A convergence-acceleration method of importance in the computation of approximate lattice sums is presented and the part concludes with a discussion of the Ewald method. Part 4 contains treatments of various diffuse-scattering phenomena arising from crystal dynamics, disorder and low dimensionality (liquid crystals), and an exposition of the underlying theories and/or experimental evidence. Polymer crystallography and reciprocal-space images of aperiodic crystals are also treated. Part 5 of the volume contains introductory treatments of the theory of the interaction of radiation with matter (dynamical theory) as applied to X-ray, electron and neutron diffraction techniques. The simplified trigonometric expressions for the structure factors in the 230 three-dimensional space groups, which appeared in Volume I of International Tables for X-ray Crystallography, are now given in Appendix 1.4.3 to Chapter 1.4 of this volume. Volume B is a vital addition to the library of scientists engaged in crystal structure determination, crystallographic computing, crystal physics and other fields of crystallographic research. Graduate students specializing in crystallography will find much material suitable for self-study and a rich source of references to the relevant literature.

International Tables for Crystallography,Volume C

International Tables for Crystallography,Volume C PDF

Author: E. Prince

Publisher: Springer Science & Business Media

Published: 2004-01-31

Total Pages: 1033

ISBN-13: 1402019009

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International Tables for Crystallography are no longer available for purchase from Springer. For further information please contact Wiley Inc. (follow the link on the right hand side of this page). The purpose of Volume C is to provide the mathematical, physical and chemical information needed for experimental studies in structural crystallography. The volume covers all aspects of experimental techniques, using all three principal radiation types, from the selection and mounting of crystals and production of radiation, through data collection and analysis, to interpretation of results. As such, it is an essential source of information for all workers using crystallographic techniques in physics, chemistry, metallurgy, earth sciences and molecular biology.

International Tables for Crystallography, Mathematical, Physical and Chemical Tables

International Tables for Crystallography, Mathematical, Physical and Chemical Tables PDF

Author: E. Prince

Publisher: John Wiley & Sons

Published: 2004-01-16

Total Pages: 1043

ISBN-13: 0470710292

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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 C provides the mathematical, physical and chemical information needed for experimental studies in structural crystallography. This volume covers all aspects of experimental techniques, using all three principal radiation types (X-ray, electron and neutron), from the selection and mounting of crystals and production of radiation, through data collection and analysis, to interpretation of results. Each chapter is supported by a substantial collection of references, and the volume ends with a section on precautions against radiation injury. Eleven chapters have been revised, corrected or updated for the third edition of Volume C. More information on the series can be found at: http://it.iucr.org

Symmetry in Crystallography

Symmetry in Crystallography PDF

Author: Paolo Radaelli

Publisher: Oxford University Press, USA

Published: 2011-09-22

Total Pages: 141

ISBN-13: 0199550654

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A fresh approach to teaching crystallographic symmetry. Rather than being swamped by heavy algebraic notation, the reader is taken through a series of simple and beautiful examples from the visual arts, and taught how to analyse them employing the 'pictorial' diagrams used in the International Tables of Crystallography.

International Tables for Crystallography, Volume H

International Tables for Crystallography, Volume H PDF

Author: Christopher J. Gilmore

Publisher: Wiley

Published: 2019-09-16

Total Pages: 0

ISBN-13: 9781118416280

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Powder diffraction is the mostly widely used crystallographic method, with applications spanning all aspects of structural science. This new volume of International Tables for Crystallography covers all aspects of the technique with over 50 chapters written by experts in the field. Consisting of seven parts, this volume: Provides an overview of the principles of powder diffraction. Discusses the radiation sources used for powder-diffraction studies, instrumentation, the use of different sample environments and methods of sample preparation. Covers methodology, including data processing, indexing and reduction, whole-pattern modelling and quantitative analysis. An overview of the relevant crystallographic databases is also provided. Focuses on structure determination (including real- and reciprocal-space methods and the maximum-entropy method), structure refinement and structure validation. Discusses defects, texture and microstructure, including stress and strain, domain size and thin films. Reviews the available software for powder diffraction. Describes applications to many areas of industrial and academic importance, including macromolecules, minerals and mining, pharmaceuticals, ceramics, cement, superconductors, pigments, forensic science, archaeology, energy storage, petrochemicals and aluminium production. Volume H is the key reference for all powder diffractionists from beginners to advanced practitioners and has been designed to be a practical volume without sacrificing rigour. Many examples of the powder-diffraction method are discussed in detail, and in several cases the data used in the examples are available for the reader to download. More information on the series can be found at: https://it.iucr.org.

International Tables for Crystallography, Volume B

International Tables for Crystallography, Volume B PDF

Author: International Union of Crystallography

Publisher: Springer

Published: 1993-06-30

Total Pages: 540

ISBN-13:

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International Tables for Crystallography are no longer available for purchase from Springer. For further information please contact Wiley Inc. The general purpose of Volume B of the International Tables for Crystallography is to present the user/reader with competent and useful accounts of the numerous aspects of reciprocal space in crystallographic research. After an introductory chapter, Part 1 presents the reader with an account of structure factor formalisms, an extensive treatment of the theory, algorithms and crystallographic applications of Fourier methods and a treatment of symmetry in reciprocal space. In Part 2 of the volume these general accounts are followed by detailed expositions of crystallographic statistics, direct methods, Patterson techniques, isomorphous replacement and anomalous scattering, and treatments of the role of electron microscopy and diffraction in crystal structure determination. Part 3 deals with applications of reciprocal space to molecular geometry and `best' plane calculations; it contains a treatment of the principles of molecular graphics and modelling and their applications, and concludes with the presentation of a convergence-acceleration method, of importance in the computation of approximate crystal potentials. The fourth Part contains treatments of various diffuse scattering phenomena arising from crystal dynamics, disorder and low dimensionality (liquid crystals), and an exposition of the underlying theories and/or experimental evidence. The volume concludes with an introductory treatment of the theory of interaction of radiation with matter, the so-called dynamical theory. Insofar as it was possible, effects due to all three major diffraction techniques (X-rays, neutrons and electrons) are considered. The volume is a vital addition to the library of scientists engaged in crystal structure determination, crystallographic computing, crystal physics and other fields of crystallogaphic research. Graduate students specializing in crystallography will find much material suitable for self study and a rich source of references to the relevant literature.