I have XRD data of synthesized material in powder form and when I compare it with standard JCPDS data, there is shift in peak positions which is not constant, ranging from 0.2 to 0.6 degree from expected. What could be the possible reason of this irregular peak shift?
It could be due to differences in one of the lattice parameters or angles, or to a sample displacement that causes an error on peak positions with an angular dependence. However, I think that on Researchgate you can surely find many discussions about this question
This may be either due to experimental error, zero error of the instrument or due to the change in lattice parameters of the sample during heat treatment. If the shift is the same for all XRD peaks, it is due to the zero error (you can calculate this error by adding small quantity of some standard material such as Silicon to your material). However, if the shift is not the same for the peaks observed at lower angles and those at higher angles, then it will be due to the change in the lattice parameters of the sample.
There may be many reasons behind this. One could be moisture content which can shift the XRD peak.
thank you Marcella Bini Maram Bakiro Md. Aminul Islam Imad Hussain
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