International Union of Crystallography, Journal of Applied Crystallography, 4(39), p. 558-562, 2006
DOI: 10.1107/s0021889806017912
Full text: Unavailable
The Rietveld method is the most widely used approach for refining crystal structures from powder diffraction patterns. It requires sufficiently accurate structure models and user skill. A method is described which is often able to complete and refine a structure model by using an automatic least-squares procedure applicable to reflection integrated intensities. A weighting scheme has been devised that is capable of taking into account the lower accuracy of the estimates of the overlapping reflections.