Diffuse X-ray Scattering and Models of Disorder
Oxford University Press (Verlag)
978-0-19-886248-2 (ISBN)
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.
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 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)
| Erscheinungsdatum | 03.05.2022 |
|---|---|
| Reihe/Serie | International Union of Crystallography Monographs on Crystallography ; 31 |
| Zusatzinfo | 206 line drawings and photographs |
| Verlagsort | Oxford |
| Sprache | englisch |
| Maße | 170 x 240 mm |
| Gewicht | 1 g |
| Themenwelt | Naturwissenschaften ► Chemie ► Physikalische Chemie |
| Naturwissenschaften ► Geowissenschaften ► Mineralogie / Paläontologie | |
| Naturwissenschaften ► Physik / Astronomie ► Thermodynamik | |
| ISBN-10 | 0-19-886248-2 / 0198862482 |
| ISBN-13 | 978-0-19-886248-2 / 9780198862482 |
| Zustand | Neuware |
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