> The initial model I used was a .cif file, exported from ICSD database. I
> believe this structure model is correct
> ...
> (With GSAS) the intensity of the third peak in my observed pattern is much
> lower than the calculated, and the other peaks' (60~130 degree) are much
> higher than the calcul
Hi Iris Liu,
Have you checked that the ICSD data you are using is correct?. For perovskites
it should not be extremely hard to check it as the structural pattern is rather
simple.
I don't know how frequently there is a wrong set of coordinates encountered on
the ICSD but I myself have found on
