Diffuse X-ray Scattering and Models of Disorder

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T.R. Welberry (Professor Emeritus, Professor Emeritus, Australian National University, Canberra, Australia)

Diffuse X-ray Scattering and Models of Disorder

T.R. Welberry (Professor Emeritus, Professor Emeritus, Australian National University, Canberra, Australia)

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English

Oxford University Press
24 July 2022

States of matter; Physical chemistry; Crystallography

Series: International Union of Crystallography Monographs on Crystallography

Diffuse X-ray scattering is a rich source of local structural information over and above that obtained by conventional crystal structure determination. The main aim of the book is to show how computer simulation of a model crystal provides a general method by which diffuse scattering of all kinds and from all types of materials can be interpreted and analysed. Since the first edition was published in 2004 there have been major improvements both in the experimental methods for recording diffuse scattering and in our ability to analyse it. The advent of new and better detectors means that fully 3-dimensional diffuse scattering data can be collected routinely for even quite small samples and computational power that is now available has continued its upward trend, meaning modelling calculations inconceivable in 2004 are now routine. The final part of the book traces these recent developments and outlines their future potential in the field.

By: T.R. Welberry (Professor Emeritus Professor Emeritus Australian National University Canberra Australia)
Imprint: Oxford University Press
Country of Publication: United Kingdom
Edition: 2nd Revised edition
Volume: 31
Dimensions: Height: 240mm, Width: 170mm, Spine: 25mm
Weight: 1g
ISBN: 9780198862482
ISBN 10: 0198862482
Series: International Union of Crystallography Monographs on Crystallography
Pages: 424
Publication Date: 24 July 2022
Audience: Professional and scholarly , Undergraduate
Format: Hardback
Publisher's Status: Active

I EXPERIMENT 1: Measurement of diffuse scattering II DISORDER MODELS 2: Disorder in one dimension 3: Particular disorder models 4: Displacements in one dimension 5: Disorder in higher dimensions 6: Displacements in two or three dimensions 7: Interactions between occupancies and displacements III EXAMPLES OF REAL DISORDERED SYSTEMS I 8: 1,3-dibromo-2,5-diethyl-4,6-dimethylbenzene (Bemb2) 9: p-chloro-N-(p-methyl-benzylidene)aniline (MeCl) 10: Urea inclusion compounds 11: Mullite 12: Wüstite 13: Cubic stabilised zirconias 14: Automatic refinement of 1 a Monte Carlo model 15: Further applications of the automatic Monte Carlo 16 method 16: Disorder involving multi-site interactions 17: Strain effects in disordered 1 crystals 18: Miscellaneous examples IV EXAMPLES OF REAL DISORDERED SYSTEMS II 19: Pentachloronitrobenzene, C6Cl5NO2 20: Polymorphs of Benzocaine, C9H11O2N 21: A new refinement strategy 22: Polymorphism in Aspirin 23: Lead perovskite relaxors, PZN and PMN 24: Pair Distribution Functions (PDF, 3D-PDF and 3D-*DPDF)

Following his PhD degree (1968-1970) in Kathleen Lonsdale's Chemical Crystallography Laboratory at University College, London and a Postdoctoral Fellowship at University College Cardiff, T. R. Welberry was appointed to the Research School of Chemistry at ANU in 1975 and subsequently became full Professor and is now an Emeritus Professor. He was Co-editor of two IUCr Journals over a period of 15 years and is now Editor of International Tables for Crystallography Vol. C.

Reviews for Diffuse X-ray Scattering and Models of Disorder

Diffuse X-ray Scattering and Models of Disorder remains essential reading for anyone interested in diffuse scattering methods -- novice and expert alike. For the novice, there is the helpful background one needs to enter the field, and the advantage of learning from the experience of one of the field's true pioneers. For the expert, the text is rich with nuggets of profound insight into the structures of disordered systems and the relationship between disorder and the scattering function. * A. L. Goodwin, Crystallography News *