Abstract
Errors in X-ray diffraction intensities due to first-order thermal diffuse scattering (TDS) have been calculated from the elastic constants of the crystal. Formulae given in the literature were generalized in such a way that they include quantum effects and zero-point vibrations. It is shown that, within the approximations used, the influence of quantum effects and zero-point vibrations is negligible above 5K if ordinary measuring conditions are applied. For C6H5COCOC6H5 and NH4HC2O4.½H2O an estimate is made of the influence of TDS intensity errors on least-squares parameters and electron density distributions at 15, 110 and 293K. A critical discussion of the long-wave method used is given.
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