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Author: Sydney R. Hall
Publisher: Springer Science & Business Media
ISBN: 1402031386
Category : Computers
Languages : en
Pages : 609
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Book Description
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.
Author: Sydney R. Hall
Publisher: Springer Science & Business Media
ISBN: 1402031386
Category : Computers
Languages : en
Pages : 609
Get Book Here
Book Description
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.
Author: Uri Shmueli
Publisher: Springer
ISBN: 9781402082184
Category : Science
Languages : en
Pages : 0
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Book Description
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.
Author: Walter Borchardt-Ott
Publisher: Springer Science & Business Media
ISBN: 3662006081
Category : Science
Languages : en
Pages : 314
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Book Description
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.
Author: International Union of Pure and Applied Chemistry. Physical and Biophysical Chemistry Division
Publisher: Royal Society of Chemistry
ISBN: 0854044337
Category : Reference
Languages : en
Pages : 240
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Book Description
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.
Author: Sydney R. Hall
Publisher: Springer Science & Business Media
ISBN: 9781402031380
Category : Computers
Languages : en
Pages : 664
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Book Description
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.
Author: Siegfried Haussühl
Publisher: John Wiley & Sons
ISBN: 3527621164
Category : Science
Languages : en
Pages : 453
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Book Description
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.
Author: Sydney Hall
Publisher: John Wiley & Sons
ISBN: 0470689102
Category : Science
Languages : en
Pages : 611
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Book Description
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
Author: Frank Hoffmann
Publisher: Springer Nature
ISBN: 3030351106
Category : Science
Languages : en
Pages : 313
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Book Description
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.
Author: Ch. Baerlocher
Publisher: Elsevier
ISBN: 0080554342
Category : Technology & Engineering
Languages : en
Pages : 405
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Book Description
Zeolite scientists, whether they are working in synthesis, catalysis, characterization or application development, use the Atlas of Zeolite Framework Types as a reference. It describes the main features of all of the confirmed zeolite framework structures, and gives references to the relevant primary structural literature. Since the last edition 34 more framwork types have been approved and are described in this new edition. A further new feature will be that characteristic building units will be listed for each of the framework types.Zeolites and their analogs are used as desiccants, as water softeners, as shape-selective acid catalysts, as molecular sieves, as concentrators of radioactive isotopes, as blood clotting agents, and even as additives to animal feeds. Recently, their suitability as hosts for nanometer spacing of atomic clusters has also been demonstrated. These diverse applications are a reflection of the fascinating structures of these microporous materials. Each time a new zeolite framework structure is reported, it is examined by the Structure Commission of the International Zeolite Association (IZA-SC), and if it is found to be unique and to conform to the IZA-SC's definition of a zeolite, it is assigned a 3-letter framework type code. This code is part of the official IUPAC nomenclature for microporous materials. The Atlas of Zeolite Framework Types is essentially a compilation of data for each of these confirmed framework types. These data include a stereo drawing showing the framework connectivity, features that characterize the idealized framework structure, a list of materials with this framework type, information on the type material that was used to establish the framework type, and stereo drawings of the pore openings of the type material. - Clear stereo drawings of each of the framework types - Description of the features of the framework type, allowing readers to quickly see if the framework type is suitable to their needs - References to isotypic materials, readers can quickly identify related materials and consult the appropriate reference
Author: Olexandr Isayev
Publisher: John Wiley & Sons
ISBN: 3527341218
Category : Technology & Engineering
Languages : en
Pages : 304
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Book Description
Provides everything readers need to know for applying the power of informatics to materials science There is a tremendous interest in materials informatics and application of data mining to materials science. This book is a one-stop guide to the latest advances in these emerging fields. Bridging the gap between materials science and informatics, it introduces readers to up-to-date data mining and machine learning methods. It also provides an overview of state-of-the-art software and tools. Case studies illustrate the power of materials informatics in guiding the experimental discovery of new materials. Materials Informatics: Methods, Tools and Applications is presented in two parts?Methodological Aspects of Materials Informatics and Practical Aspects and Applications. The first part focuses on developments in software, databases, and high-throughput computational activities. Chapter topics include open quantum materials databases; the ICSD database; open crystallography databases; and more. The second addresses the latest developments in data mining and machine learning for materials science. Its chapters cover genetic algorithms and crystal structure prediction; MQSPR modeling in materials informatics; prediction of materials properties; amongst others. -Bridges the gap between materials science and informatics -Covers all the known methodologies and applications of materials informatics -Presents case studies that illustrate the power of materials informatics in guiding the experimental quest for new materials -Examines the state-of-the-art software and tools being used today Materials Informatics: Methods, Tools and Applications is a must-have resource for materials scientists, chemists, and engineers interested in the methods of materials informatics.
