Hi, researchers.
Recently, I refine the Li-rich layered structure via FullProf, but the intensity of the frist peak of the pattern can not be refined well, as the Fig. I attached.
the procedure of my refinement as follow: 1) set background function manually （linear interpolation）; 2) refine it using single phase model ( LiNi1/3Mn1/3Co1/3O2 ); 3) then introduce the second phase ( Li2MnO3 ) and refine.
I attached my refinement files in the *.zip, and hope someone can give me some suggestions.
In fact, the intensities look quite nice. Your main problem is the peak shape. From your pcr, you only refine X in the Lorentz contribution. Try to add also Y and anisotropic contribution to both parameters. But be careful, your measurement is quite short and most likely it will easily diverge.
Personally, I would not spend too much time trying to make the refinement better than it is right now.
Hi, Alexander
Thanks for your advice.
In the answer, you said that "your measurement is quite short". It means that I should use a smaller step and increase the dwell time in the PXRD characterization, or I should collect the higher angle data?
You need as high angle as possible to separate different contributions to the peak shape. Step size is acceptable for your sample. It is not so easy to improve the quality of your data by increasing the measurement time (roughly speaking, 4 times longer measurement will give 2 times better quality). But in order to get better data at high angles you might try variable counting time or variable divergence slits.
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