Simultaneous structure refinement of neutron, synchrotron and X-ray powder diffraction patterns

A technique has been developed for the simultaneous analysis of several powder diffraction data on the basis of the Rietveld method. Counting rates from one specimen at a given temperature taken at neutron, synchrotron or X-ray powder diffractometers are joined to one single data set with weights given by the counting statistics. The structure is refined from this data set with a parameter field containing one structural model and individual zero points, scale factors and FWHM parameters for each of the methods and data sets. A new definition of the residuals is given. The residuals and goodness-of-fit values are calculated for all as well as for the individual data sets.