International Tables for Crystallography, Space-Group Symmetry

Author: Theo Hahn

Publisher: Wiley

ISBN: 0792365909

Category: Science

Page: 932

View: 9895

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International Tables for Crystallography is the definitive resource and reference work for crystallography and structural science. Each of the eight 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 A treats crystallographic symmetry in direct or physical space. It contains extensive tabulations and illustrations of the 17 plane groups, the 230 space groups and the 32 crystallographic point groups. Parts 1-5 of the volume present introductory material, including lists of symbols and terms, a guide to the use of the space-group tables, and the determination of space groups. Later parts discuss aspects of symmetry theory, such as crystal lattices and normalizers of space groups. Thoroughly updated and improved, the latest edition of Volume A includes an additional chapter on further properties of lattices.
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International Tables for Crystallography, Definition and Exchange of Crystallographic Data

Author: Sydney R. Hall,Brian McMahon

Publisher: Springer Science & Business Media

ISBN: 9781402031380

Category: Computers

Page: 608

View: 7694

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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.
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International Tables for Crystallography, Symmetry Relations between Space Groups

Author: Hans Wondratschek,Ulrich Müller

Publisher: Wiley

ISBN: 9780470660799

Category: Science

Page: 778

View: 4354

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International Tables for Crystallography is the definitive resource and reference work for crystallography and structural science. Volume A1, an extension of and supplement to Volume A, presents a systematic treatment of the maximal subgroups and minimal supergroups of the crystallographic plane groups and space groups. The volume is divided into 3 parts: Part 1: An introduction to the theory of space groups at various levels and with many examples. Part 2: A complete listing of all maximal subgroups and minimal supergroups for each plane group and space group. Graphs that illustrate the group-subgroup relations are also presented. Part 3: Lists the relations between the Wyckoff positions of every maximal subgroup of every space group, including the cell transformations and coordinate transformations. New to the second edition of Volume A1: A new chapter on building trees of group-subgroup relations for crystal structures that can be derived from a high-symmetry structure type (aristotype). A new chapter on the Bilbao Crystallographic Server, describing the databases and computer programs that are related to the subjects of the volume. A detailed discussion of the listed supergroup data and a description of a procedure for the complete derivation of the minimal supergroups from the listed (complete) data on maximal subgroups. This volume is invaluable for the study of group-subgroup relations, and is therefore essential for those interested in phase transitions, the systematic compilation of crystal structures, twinning phenomena and related fields of crystallographic research. More information on the series can be found at: http://it.iucr.org
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Proceedings of the 12th Pacific Rim Conference on Ceramic and Glass Technology; Ceramic Transactions

Author: Dileep Singh,Manabu Fukushima,Young-Wook Kim,Kiyoshi Shimamura,Nobuhito Imanaka,Tatsuki Ohji,Jake Amoroso,Michael Lanagan

Publisher: John Wiley & Sons

ISBN: 1119494079

Category: Technology & Engineering

Page: 354

View: 9373

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Ceramic Transactions, Volume 264, Proceedings of the 12th Pacific Rim Conference on Ceramic and Glass Technology Dileep Singh, Manabu Fukushima, Young-Wook Kim, Kiyoshi Shimamura, Nobuhito Imanaka, Tatsuki Ohji, Jake Amoroso, and Michael Lanagan; Editors This proceedings contains a collection of 32 papers presented at the 12th Pacific Rim Conference on Ceramic and Glass Technology (PacRim12), May 21-26, 2017 in Waikoloa, Hawaii. PacRim is a bi-annual conference held in collaboration with the ceramic societies of the Pacific Rim countries - The American Ceramic Society, The Chinese Ceramic Society, The Korean Ceramic Society, and the Australian Ceramic Society. Topics included in this collection include multiscale modeling and simulation, processing and manufacturing, nanotechnology, multifunctional materials, ceramics for energy and the environment, biomedical materials, and more
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Rietveld Refinement

Practical Powder Diffraction Pattern Analysis using TOPAS

Author: Robert E. Dinnebier,Andreas Leineweber,John S.O. Evans

Publisher: Walter de Gruyter GmbH & Co KG

ISBN: 3110461382

Category: Science

Page: 347

View: 5133

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Almost 50 years have passed since the famous papers of Hugo Rietveld from the late sixties where he describes a method for the refinement of crystal structures from neutron powder diffraction data. Soon after, the potential of the method for laboratory X-ray powder diffraction was discovered. Although the method is now widely accepted, there are still many pitfalls in the theoretical understanding and in practical daily use. This book closes the gap with a theoretical introduction for each chapter followed by a practical approach.The flexible macro type language of the Topas Rietveld software can be considered as the defacto standard.
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International Tables for Crystallography, 9 Volume Set

Author: C. P. Brock

Publisher: Wiley

ISBN: 9781119468707

Category: Science

Page: 600

View: 9108

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International Tables for Crystallography is the definitive resource and reference work for crystallography and structural science. Now in nine volumes, 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. The contents can be browsed by volume, across the 9 volumes below: Volume A: Space-group symmetry, 5e Volume A1: Symmetry relations between space groups Volume B: Reciprocal space, 3e Volume C: Mathematical, physical and chemical tables, 3e Volume D: Physical properties of crystals Volume E: Subperiodic groups Volume F: Crystallography of biological macromolecules Volume G: Definition and exchange of crystallographic data Volume H: Powder Diffraction Also available online as an updating reference representing the most up-to-date, dynamic, and comprehensive reference work available to crystallographers, and to all those who use crystallography across a wide range of fields.
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International tables for crystallography

Reciprocal space

Author: Uri Shmueli,International Union of Crystallography

Publisher: Kluwer Academic Pub

ISBN: N.A

Category: Science

Page: 506

View: 5653

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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.
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International Compendium of Numerical Data Projects

A Survey and Analysis

Author: CODATA (The Committee on Data for Science and Technology ofthe International Council of Scientific Unions)

Publisher: Springer Science & Business Media

ISBN: 3642871186

Category: Computers

Page: 295

View: 1755

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At the time of its establishment in 1966, by the International Council of Scientific Unions (ICSU), the Committee on Data for Science and Technol ogy (CODATA) was given the basic mission of promoting and encouraging, on a worldwide basis, the production and distribution of compendia and of collections of critically selected numerical data on substances other forms of interest and importance to science and technology. To accomplish this aim, the following tasks were assigned to CODATA: (1) To ascertain, on a worldwide basis, what work on compilation of numerical data is being carried on in each country and under each union, and from this information, to prepare and distribute a Directory or Com pendium of the Data-Compiling Projects and Related Publications of the World; (2) To achieve coordination of existing programs and to recommend new programs; (3) To encourage, from all appropriate sources, financial support for work on compilation; (4) To encourage the use of internationally approved symbols, units, constants, terminology, and nomenclature; (5) To encourage and coordinate research on new methods for preparing and disseminating data for science and technology. In its first two years of operation, 1966 to 1968, in Washington, D. c. , U. S. A. , CODATA fortunately had as its Director Dr. GUY WADDINGTON, who was also Director of the Office of Critical Tables of the National Research Council (NRC), U. S. A. Dr.
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Crystallography for Chemists

Author: Phillip E. Fanwick

Publisher: Cambridge Scholars Publishing

ISBN: 1527534138

Category: Science

Page: 245

View: 3777

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For the last fifty years, X-ray crystallography and allied methods have been one of the most important analytical techniques for chemical analysis. With improved equipment, computers, and programs, the time required for such determinations has been reduced from months to hours. However, crystallography has never found its way into chemical education. There are many reasons for this failure, but the result has been most chemists having little understanding of the method beyond operating equipment and running black box programs. This book provides a basic education on crystallographic methods. As much as possible, it is non-mathematical, and written in language that chemists use. It is designed for the instruction of senior undergraduate students and beginning graduate students, but will also be of interest to any chemist who has had no instruction in crystallography. Much of the book provides information that can be used by chemists who do not plan to conduct crystallographic studies themselves.
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International Tables for Crystallography, Physical Properties of Crystals

Author: A. Authier

Publisher: Wiley

ISBN: 9780470689097

Category: Science

Page: 536

View: 8982

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International Tables for Crystallography is the definitive resource and reference work for crystallography and structural science. Each of the eight 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 D is concerned with the influence of symmetry on the physical and tensor properties of crystals and on their structural phase transitions. This role is very important in many different disciplines of the science of materials such as crystallography, elasticity, solid-state physics, magnetism, optics, ferroelectricity and mineralogy, and Volume D deals with all these aspects in a unified way. The volume is divided into 3 parts: Part 1: Introduces the mathematical properties of tensors and group representations and gives their independent components for each of the crystallographic groups. Part 2: Devoted to the symmetry aspects of excitations in reciprocal space: phonons, electrons, Raman scattering and Brillouin scattering. Part 3: Deals with the symmetry aspects of structural phase transitions and twinning. A prominent feature is the joint description of twinning and domain structures, which are usually presented in completely separate ways in handbooks of physics and mineralogy. Supplementary software is provided to support and enhance Chapters 1.1 and 1.2 for the determination of irreducible group representations and tensor components, and Part 3 on structural phase transitions.
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