
TY  - JOUR
A1  - Will, G 
T1  - Crystal Structure Analysis and Refinement Using Integrated Intensities from Accurate Profile Fits
JF  - Australian Journal of Physics
JO  - Aust. J.  Phys.
Y1  - 1988
VL  - 41
IS  - 2
SP  - 283
EP  - 296
KW  - 
UR  - https://doi.org/10.1071/PH880283 
N2  - 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. 
ER  -

