By William I. F. David (auth.), Ute Kolb, Kenneth Shankland, Louisa Meshi, Anatoly Avilov, William I.F David (eds.)
The polycrystalline and nanocrystalline states play an more and more very important position in exploiting the houses of fabrics, encompassing purposes as assorted as prescription drugs, catalysts, sunlight cells and effort garage. a data of the three-d atomic and molecular constitution of fabrics is key for realizing and controlling their homes, but conventional single-crystal X-ray diffraction tools lose their strength while in simple terms polycrystalline and nanocrystalline samples can be found. it's right here that powder diffraction and single-crystal electron diffraction strategies take over, considerably extending the variety of applicability of the crystallographic ideas of constitution decision.
This quantity, a set of training contributions awarded on the Crystallographic direction in Erice in 2011, truly describes the basics and the state of the art of powder diffraction and electron diffraction equipment in fabrics characterisation, encompassing a various variety of disciplines and fabrics stretching from archeometry to zeolites. As such, it's a finished and invaluable source for these wishing to realize an figuring out of the large applicability of those speedily constructing fields.
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Extra resources for Uniting Electron Crystallography and Powder Diffraction
8 Chemical and Positional Disorder – Local Structures Chemical disorder is often observed in metal alloys where metal sites may have mixed occupation. When the occupation of individual sites by different metals is not statistically random, it can be analyzed provided the scattering contrast between the metals is strong enough. It can be achieved either using the X-ray and neutron data jointly or by resonant X-ray scattering. Note that for the case of n atomic species (including vacancies) on one Wyckoff site, one needs n 1 diffraction patterns with different contrast between the scatterers under the question.
The positions of Mg and B atoms were recognized in electron density maps. In both cases the structure was refined by Rietveld refinement keeping the borohydride groups rigid. 3 Need for Accurate Unit Cell Content Knowledge of the chemical composition and estimation of the unit cell content are the necessary information for most structure solution algorithms. ). The recently discovered borohydrides AZn2 (BH4 )5 (A D Li, Na)  are an example how important is the correct estimation of the unit cell content for an unknown phase.
The resulting products may contain more than one phase like unreacted starting components and side reactions products. As the bottle-neck of the ab initio structural studies is still indexing of the powder data, multiphase samples introduce an additional complication. A successful strategy consists of the so-called ‘decomposition-aided indexing’, which utilizes in situ diffraction as a function of the temperature (T-ramping) up to the decomposition/melting temperature of different phases. This procedure allows to separate diffraction peaks of individual phases as illustrated in Fig.