recentlty I have synthesized mn-zn ferrite and I toke xrd patern of my sample .how can I do reitveld refinement to dertermin change in cation distribution in my samples
Dear Hamid Saeidi , you can try performing rietveld analysis using HighScore Plus® program (produced by PANalytical B.V. under license number 10003977). To model the XRD patterns peak profle, a pseudo-Voigt function can be utilized with the oxygen positions (x=y=z=u) taken as free parameters. However, all other atomic fractional positions must be taken as fxed parameters, others, such as lattice constants, peak shapes and site occupancies, can be taken as free parameters. Later, after refinement by considering the occupancies of the cations, you can back calculate the cation distribution easily. You can get more insights by referring to the attached research paper.
in addition to theory of reitveld method I need a guide to HighScore Plus just in order to do reitveld refinement. I will be so grateful if you can help me