Abstract
Abstract Our discussions of the structure factor have assumed that the effects of atomic displacements are hidden in the expressions for the scattering factor and hence in the electron density. It is, however, possible to write the positional and displacement parameters explicitly–albeit approximately–and even let them vary so that an optimal agreement is obtained between the magnitudes in the model for the structure factor and the corresponding magnitudes that are obtained from the observed intensity. This process of variation, known as the refinement of structural parameters, will be treated in the next chapter. The present chapter is devoted to an approximate description of the effects of atomic displacement, following closely Trueblood et al. (1996), and to some simple models of displacement parameters in terms of the positional parameters, such as those proposed by Schomaker and Trueblood (1968).
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