
%0 Journal Article
%A Will, G 
%T Crystal Structure Analysis and Refinement Using Integrated Intensities from Accurate Profile Fits
%J Australian Journal of Physics
%D 1988/04/01
%V 41
%N 2
%P 283-296
%K 
%R https://doi.org/10.1071/PH880283
%U https://www.publish.csiro.au/paper/PH880283 
%X Careful experimental techniques, especially using synchrotron radiation facilities, give well resolved diffraction patterns. Remaining overlapping peaks can be separated by profile fitting and profile analysis. The derived parameters are: peak position for lattice constants, integrated intensities for crystal structure work and halfwidth for line broadening analysis. Crystal structure refinements with the powder least squares program POWLS yield R factors routinely around R = 1·5% and as low as R = 0·6%. For actual structure analysis Fourier maps have been calculated in the case of the orthorhombic olivine analogue Mg2Ge04. Another non-trivial example concerns Ce02, where chemical bonding features are derived. From an analysis of anomalous dispersion in Yb20 3 the correction terms f' have been derived as a function of energy for four wavelengths measured close to the L-absorption edge of Yb. 
