Del 31 - International Union of Crystallography Monographs on Crystallography

Diffuse X-ray Scattering and Models of Disorder

Inbunden, Engelska, 2022

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

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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.

Produktinformation

Utgivningsdatum2022-05-01
Mått170 x 240 x 25 mm
Vikt1 g
FormatInbunden
SpråkEngelska
SerieInternational Union of Crystallography Monographs on Crystallography
Antal sidor422
Upplaga2
FörlagOUP OXFORD
ISBN9780198862482

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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.

I EXPERIMENT1: Measurement of diffuse scatteringII DISORDER MODELS2: Disorder in one dimension3: Particular disorder models4: Displacements in one dimension5: Disorder in higher dimensions6: Displacements in two or three dimensions7: Interactions between occupancies and displacementsIII EXAMPLES OF REAL DISORDERED SYSTEMS I8: 1,3-dibromo-2,5-diethyl-4,6-dimethylbenzene (Bemb2)9: p-chloro-N-(p-methyl-benzylidene)aniline (MeCl)10: Urea inclusion compounds11: Mullite12: Wüstite13: Cubic stabilised zirconias14: Automatic refinement of 1 a Monte Carlo model15: Further applications of the automatic Monte Carlo 16 method16: Disorder involving multi-site interactions17: Strain effects in disordered 1 crystals18: Miscellaneous examplesIV EXAMPLES OF REAL DISORDERED SYSTEMS II19: Pentachloronitrobenzene, C6Cl5NO220: Polymorphs of Benzocaine, C9H11O2N21: A new refinement strategy22: Polymorphism in Aspirin23: Lead perovskite relaxors, PZN and PMN24: Pair Distribution Functions (PDF, 3D-PDF and 3D-*DPDF)

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.

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Diffuse X-ray Scattering and Models of Disorder

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