In all publications they are saying that (311) peak is the characteristic peak, what does it mean?
What is the peak to peak information in XRD graph of ferrites?
In general, to identify a structure:
One should take high resolution X-ray scan of the sample first. Then, calculate the peak positions accurately of the experimentally observed peaks of the sample. Then, one should calculate the interplanar spacings 'd' of the peaks. Match them with ICDD data. They should match within a small error (within 3-4 % max). This is the quickest method to identify a material with a definite structure.
To establish this more scientifically, one has to calculate the lattice parameter(s) of the structure. For a simple Cubic structure, it is simple. First calculate the a(hkl) of each peak from d(hkl) values of the observed peaks, using the relation of a(hkl) and d(hkl) for cubic str..
[1/d(hkl) square] = [(h square + k square + l square)/a(hkl) square]
Then one has to take a suitable 'theta' function (error function) and plot the 'a(hkl)' values on the y-axis and corresponding values of the theta function on the x-axis. It should be a linear graph. Extrapolate it to x=0. You will get the correct lattice parameter value of your cubic structure. Compare this a value with ICDD data/.published value.
I am afraid, only using (311) peak will not yield the correct lattice parameter value.
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