Adding 2 cents to the discussion...

But I will try to convince myself otherwise :-)

Another reason which may preclude your self-convincing is the fact that all the very good PDF studies of materials that are not perfectly crystallized (producing diffuse scattering), though not being amorphous, are made by using synchrotron data or neutron data from spallation sources : not by using constant wavelength neutrons...

In the past, I have studied a few glasses at ILL by using the D4
instrument, at 0.5 A wavelength, allowing to attain modestly high Q
values. The fact that the instrument resolution was very poor was not
a problem for amorphous materials, but it was a problem for crystalline
or partially crystalline materials : they also look like amorphous in the
reciprocal space, due to the quite large instrumental contribution to the
peak broadening. Is that improved now ? If not, you would not be
able to apply both the Rietveld and the PDF methods from the
same data, raw or Fourier transformed. The raw data would
be too bad for applying the Rietveld method. So, no PDF at ILL ?-).

A different question is about size/strain effects, possibly
anisotropic, which may have effects on the peak shapes
and peaks broadening. We can more or less (progress are to
be made), take account of these effects reflecting the deviation
of the real sample from a model of infinite perfectly periodical
structure. All that peak shape information is lost in the PDF...
So, both PDF and Rietveld approaches may appear necessary
and complementary, sometimes - for ill-crystallized compounds.
However, is it really necessary to see on the PDF the difference
between the Si-O and Al-O distances in respectively SiO4 and AlO4 ?
This is already a well established fact (the same for any statistical
substitution of atoms with different radii like In and Ga in (In/Ga)As).
So, this PDF advantage does not impress me a lot (like opening an
already open door), EXAFS reveals the same. Apart from being able
to show such differences, I expect more from the PDF approach, but
the more an ill-crystallized sample is close to be amorphous, and the
more the structure hypothesis will be dubious...

Armel






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