the peak profile functions were approximated by Gaussians. For each of the eight identified crystallographic phases, five parameters were refined in a least-squares fashion: the sample–detector distance, the Pawley scaling factor and three so-called Caglioti parameters that parameterize the diffraction peak widths of each phase. All other parameters were kept constant. In addition, the corresponding XRF spectra were fitted using the appropriate spectral K and L line groups of the elements present by means of the PyMCA program.