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International Tables for Crystallography, Space-Group Symmetry

International Tables for Crystallography, Space-Group Symmetry

  • Author: Theo Hahn
  • Publisher: Wiley
  • ISBN: 0792365909
  • Category: Science
  • Page: 932
  • View: 6343
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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.

International Tables for Crystallography, Definition and Exchange of Crystallographic Data

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: 3841
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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, Symmetry Relations between Space Groups

International Tables for Crystallography, Symmetry Relations between Space Groups

  • Author: Hans Wondratschek,Ulrich Müller
  • Publisher: Wiley
  • ISBN: 9781402023552
  • Category: Science
  • Page: 744
  • View: 4714
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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. This volume presents a systematic treatment of the maximal subgroups and minimal supergroups of the crystallographic plane groups and space groups. It is an extension of and a supplement to Volume A, Space-group symmetry, in which only basic data for sub- and supergroups are provided. Group-subgroup relations, apart from their theoretical interest, are the basis of a number of important applications in crystallographic research: (1) In solid-state phase transitions there often exists a group-subgroup relation between the symmetry groups of the two phases. According to Landau theory, this is in fact mandatory for displacive (continuous, second-order) phase transitions. Group-subgroup relations are also indispensable in cases where the symmetry groups of the two phases are not directly related but share a common subgroup or supergroup. (2) Group-subgroup relations provide a concise and powerful tool for revealing and elucidating relations between crystal structures. They can thus help to keep up with the ever-increasing amount of crystal-structure data. Their application requires knowledge of the relations of the Wyckoff positions of group-subgroup related structures. (3) Group-subgroup relations are of great importance in the study of twinned crystals, domain structures and domain boundaries. (4) These relations can even help to identify errors in space-group assignment and crystal-structure determination. (5) Subgroups of space groups provide a valuable approach to teaching crystallographic symmetry. Volume A1 consists of three parts: Part 1 presents an introduction to the theory of space groups at various levels and with many examples. It includes a chapter on the mathematical theory of subgroups. Part 2 gives for each plane group and space group a complete listing of all maximal subgroups and minimal supergroups. The treatment includes the generators of each subgroup as well as any necessary changes of the coordinate system. Maximal isomorphic subgroups are given in parameterized form as infinite series because of the infinite number for each group. A special feature of the presentation is graphs that illustrate the group-subgroup relations. Part 3 lists the relations between the Wyckoff positions of every space group and its subgroups. Again, the infinite number of maximal isomorphic subgroups of each space group are covered by parameterized series. These data for Wyckoff positions are presented here for the first time. Audience: The volume is a valuable addition to the library of scientists engaged in crystal-structure determination, crystal physics or crystal chemistry. It is essential for those interested in phase transitions, the systematic compilation of crystal structures, twinning phenomena and related fields of crystallographic research.

Proceedings of the 12th Pacific Rim Conference on Ceramic and Glass Technology; Ceramic Transactions

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: 952
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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

Rietveld Refinement

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: 8979
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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.

International Tables for Crystallography, 9 Volume Set

International Tables for Crystallography, 9 Volume Set

  • Author: C. P. Brock
  • Publisher: Wiley
  • ISBN: 9781119468707
  • Category: Science
  • Page: 600
  • View: 9927
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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.

International Tables for Crystallography 5th Edition

International Tables for Crystallography 5th Edition

  • Author: C. P. Brock
  • Publisher: Wiley
  • ISBN: 9781119362296
  • Category: Science
  • Page: 5480
  • View: 9791
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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. International Tables for Crystallography comprises more than 6,000 pages including nearly 2,000 pages of symmetry tables which are vital for the analysis of crystal structures: Volume A: Space-group symmetry, 6e Volume A1: Symmetry relations between space groups, 2e Volume B: Reciprocal space, 3e Volume C: Mathematical, physical and chemical tables, 3e Volume D: Physical properties of crystals, 2e Volume E: Subperiodic groups, 2e Volume F: Crystallography of biological macromolecules, 2e Volume G: Definition and exchange of crystallographic data This edition includes a new edition of Volume A, making International Tables 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.

International tables for crystallography

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: 8732
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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.

International Compendium of Numerical Data Projects

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: 2864
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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.

Crystallography for Chemists

Crystallography for Chemists

  • Author: Phillip E. Fanwick
  • Publisher: Cambridge Scholars Publishing
  • ISBN: 1527534138
  • Category: Science
  • Page: 245
  • View: 606
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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.