Indexing of Crystal Diffraction Patterns
Indexing of Crystal Diffraction Patterns

Author: Adam Morawiec

Publisher: Springer Nature

Published: 2022-09-28

Total Pages: 427

ISBN-13: 3031110773

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This book provides a detailed, self-contained description of automatic indexing of crystal diffraction patterns, considering both ab initio indexing and indexing of patterns originating from known structures. Introductory chapters equip the reader with the necessary basic knowledge of geometric crystallography, as well as kinematic and dynamic theories of crystal diffraction. Subsequent chapters delve and describe ab initio indexing of single crystal diffraction patterns and indexing of patterns for orientation determination. The book also reviews methods of indexing powder diffraction and electron spot-type patterns, as well the subject of multigrain indexing. Later chapters are devoted to diffraction by helical structures and quasicrystals, as well as some aspects of lattice parameter refinement and strain determination. The book is intended equally for materials scientists curious about ‘nuts and bolts’ of diffraction pattern indexing and orientation mapping systems, as well as interdisciplinary researchers from physics, chemistry, and biology involved in crystallographic computing. It provides a rigorous, yet accessible, treatment of the subject matter for graduate students interested in understanding the functioning of diffraction pattern indexing engines.

Rietveld Refinement
Rietveld Refinement

Author: Robert E. Dinnebier

Publisher: Walter de Gruyter GmbH & Co KG

Published: 2018-12-17

Total Pages: 348

ISBN-13: 3110461382

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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.

Structure Determination by X-Ray Crystallography
Structure Determination by X-Ray Crystallography

Author: M. F. C. Ladd

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 404

ISBN-13: 1461579333

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Crystallography may be described as the science of the structure of materi als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain mathematical results are assumed in order that their applications may be discussed. At the end of each chapter, a short bibliog raphy is given, which may be used to extend the scope of the treatment given here. In addition, reference is made in the text to specific sources of information. We have chosen not to discuss experimental methods extensively, as we consider that this aspect of crystallography is best learned through practical experience, but an attempt has been made to simulate the interpretive side of experimental crystallography in both examples and exercises.

X-Ray Diffraction Crystallography
X-Ray Diffraction Crystallography

Author: Yoshio Waseda

Publisher: Springer Science & Business Media

Published: 2011-03-18

Total Pages: 320

ISBN-13: 3642166350

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X-ray diffraction crystallography for powder samples is a well-established and widely used method. It is applied to materials characterization to reveal the atomic scale structure of various substances in a variety of states. The book deals with fundamental properties of X-rays, geometry analysis of crystals, X-ray scattering and diffraction in polycrystalline samples and its application to the determination of the crystal structure. The reciprocal lattice and integrated diffraction intensity from crystals and symmetry analysis of crystals are explained. To learn the method of X-ray diffraction crystallography well and to be able to cope with the given subject, a certain number of exercises is presented in the book to calculate specific values for typical examples. This is particularly important for beginners in X-ray diffraction crystallography. One aim of this book is to offer guidance to solving the problems of 90 typical substances. For further convenience, 100 supplementary exercises are also provided with solutions. Some essential points with basic equations are summarized in each chapter, together with some relevant physical constants and the atomic scattering factors of the elements.

Elements of X-Ray Diffraction
Elements of X-Ray Diffraction

Author: Bernard D. Cullity

Publisher: Pearson

Published: 2013-11-01

Total Pages: 656

ISBN-13: 9781292040547

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Designed for Junior/Senior undergraduate courses. This revision of a classical text is intended to acquaint the reader, who has no prior knowledge of the subject, with the theory of x-ray diffraction, the experimental methods involved, and the main applications. The text is a collection of principles and methods designed directly for the student and not a reference tool for the advanced reader

Structure Determination from Powder Diffraction Data
Structure Determination from Powder Diffraction Data

Author: William I. F. David

Publisher: OUP Oxford

Published: 2002

Total Pages: 358

ISBN-13: 0198500912

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Our understanding of the properties of materials, from drugs and proteins to catalysts and ceramics, is almost always based on structural information. This book describes the new developments in the realm of powder diffraction which make it possible for scientists to obtain such information even from polycrystalline materials. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.

Electron Diffraction Techniques
Electron Diffraction Techniques

Author: John Maxwell Cowley

Publisher: Oxford University Press

Published: 1992

Total Pages: 442

ISBN-13: 9780198557333

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Volume 2 deals with those aspects when there is a stronger correlation of the diffraction phenomena with the electron microscope imaging.

Functional and Smart Materials
Functional and Smart Materials

Author: Zhong-lin Wang

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 528

ISBN-13: 1461553679

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In the search for new functional materials, a clear understanding about the relationship between the physical properties and the atomic-scale structure of materials is needed. Here, the authors provide graduate students and scientists with an in-depth account of the evolutionary behavior of oxide functional materials within specific structural systems, discussing the intrinsic connections among these different structural systems. Over 300 illustrations and key appendices support the text.