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Crystallographic Data Diffracting Techniques

Without a doubt, one of the most important uses of XRPD in pharmaceuticals is derived from application as the primary determinant of polymorphic or solvatomorphic identity [34], Since these effects are due to purely crystallographic phenomena, it is self-evident that x-ray diffraction techniques would represent the primary method of determination. Owing to its ease of data acquisition, XRPD is particularly... [Pg.208]

The crystallographic data for these phases, including tables of calculated d-spacings and intensities for X-ray powder diffraction patterns, have been collected in Chapter 13. Characterization by electron microscopy, a particularly important technique because of the nature of the materials, is reviewed in Chapters 14 and IS. [Pg.281]

Simulated annealing A structure determination from diffraction data involves the development of an initial model, that is a structure solution step, and then completion and refinement of the model. Why are these steps distinct The answer is that today s structure refinement technology can operate effectively only when the starting model is relatively dose to the actual model crystallographic least squares techniques are unable to locate global... [Pg.237]

Ex situ macroscopic properties of adsorbates and interphases not sensitive towards a transfer of the sample from the electrochemical cell into an analysis system (in most cases a UHV chamber) can be studied with additional techniques. The crystallographic data can be derived from low energy electron diffraction (LEED) [72] this is possible only if the sample has a minimum degree of ordering. [Pg.20]

For all these reasons, it is compulsory to begin to establish the basis of a reliable crystallographic approach, so as to get a reasonable material characterization. Then, among the various characterization techniques, a choice can be made. Both diffracting techniques (x-rays and electrons) and imaging techniques (transmission electron microscopy) are well adapted, becanse they exploit the same data, and they must be discussed in some detail. [Pg.3]


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Crystallographic data

Diffraction data

Diffraction techniques

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