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.
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.
This Second Edition provides solid state scientists, who are not necessarily experts in crystallography, with an understandable and comprehensive guide to the new International Tables for Crystallography. The basic ideas of symmetry, lattices, point groups, and space groups are explained in a clear and detailed manner. Notation is introduced in a step-by-step way so that the reader is supplied with the tools necessary to derive and apply space group information. Of particular interest in this second edition are the discussions of space groups application to such timely topics as high-temperature superconductors, phase transitions, semiconductor superlattices, incommensurate modulation, and icosahedral symmetry.
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.
The book presents the basic information needed to understand and to organize the huge amount of known structures of crystalline solids. Its basis is crystallographic group theory (space group theory), with special emphasis on the relations between the symmetry properties of crystals.
X-ray crystallography provides a unique opportunity to study the arrangement of atoms in a molecule. This book's modern computer-graphics centered approach facilitates the extrapolation of these valuable observations. A unified treatment of crystal systems, the book explains how atoms are arranged in crystals using the metric matrix. Featuring t
This textbook is a complete and clear introduction to the field of crystallography. It includes an extensive discussion on the 14 Bravais lattices and their reciprocals, the basic concepts of point- and space-group symmetry, the crystal structure of elements and binary compounds, and much more.The purpose of this textbook is to illustrate rather th
Most materials and crystals have an atomic structure which is described by a regular stacking of a microscopic fundamental unit, the unit cell. However, there are also many well ordered materials without such a unit cell. This book deals with the structure determination and a discussion of the main special properties of these materials.
X-ray absorption spectroscopy and X-ray emission spectroscopy are complementary to crystallographic methods, particularly for materials science and the study of nanostructure and systems with partial disorder and partial local order, including solutions, gases, liquids, glasses and powders. This new volume of International Tables for Crystallography has nine parts and over 150 chapters contributed by a wide range of international experts. Part 1 provides a brief overview and introduction to the background of X-ray absorption spectroscopy (XAS) and experimental facilities. Part 2 discusses the quantum theory of XAS and related approaches. Part 3 describes both standard and advanced experimental methods used in XAS, X-ray emission spectroscopy (XES) and related techniques. Part 4 covers both standard and more advanced pre-processing of data. Part 5 gives an extensive overview of the analysis of experimental data. Part 6 provides details of the major software packages for data collection, reduction and analysis. Part 7 outlines the importance in science, reporting and hypothesis testing of the exchange of input and processed output data, and data deposition. It also presents excerpts of tables of data and supplementary material for XAS, pre-edge studies, X-ray absorption near-edge spectroscopy (XANES) and X-ray absorption fine structure (XAFS) studies. These tables are also available in full as online supporting information. Part 8 explores a wide range of applications of XAS in fields including materials science, physics, chemistry, biology, earth sciences, catalysis and cultural heritage. Part 9 presents definitions of the terms and quantities used, as developed by the International Union of Crystallography's Commission on XAFS. The volume has been written for the worldwide XAS community of thousands of practitioners, beamline scientists, experts and academics, and for the novice user who wishes to know what XAS and XES can do for them and how they may use these techniques for their particular purposes. The volume is therefore intended to be a self-contained, authoritative reference work that can also be used for training, learning or teaching, providing practical guidance for readers of all levels of experience. More information on the volumes in the series International Tables for Crystallography can be found at https://it.iucr.org.
