I am trying to do refinement of magnetic garnet ferrite material; I have extracted the values of lattice parameters and atomic coordinates from CIF file. I am facing one problem every time i.e., the intensity of the observed peak (represented in black line) is not changing, it’s almost showing a straight line. While other peaks are varying. Initially on first run the observed peaks (black line) are visible but as I start refining it, after 2-3 steps the peaks shifted to very low intensities. Kindly suggest me some solution.
Thanking you all
With Regards
The bars of the calculated peaks seem located in the right places. At the beginning of the refinement you should only vary the errors, background coefficients and scale factor. However, if the calculated intensities are very different from the experimental ones with all the parameters fixed, you should be aware that something is wrong (space group, lattice positions...). Check carefully these informations
Probably due to data quality (chi2 is 0.2 and too low with fitting of background only). Maximum counts only 16?? Such issues arises in FullProf when background counts is/are zero in XRD pattern.
Ashok Bhakar The problem was the inappropriate value of lattice parameters. I had downloaded the CIF file from "materials project " and from crystallographic open data base (COD). I found that both files are giving different values of a, b, c and x, y, z. I was getting problem while using data of "materials project". I have replaced the values of lattice parameter given in CIF file of COD the problem got resolved.
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