Re: [sdpd] CIF and ICDD

[Armel Le Bail <alb...@cristal.org>]

>How can I generate the cif format file from ICDD
>database?

 From PDF-2 you cannot produce a CIF of the powder
pattern, to my knowledge. Anyway, I never needed to
do that.

 From the various PDF-4, I don't know. Still having no access.

But I do not see exactly why I would need to make a CIF
of a powder pattern from the PDF. The fact is that it would be
interesting to have that CIF when the powder pattern is a real
one (not calculated by summation of profiles applied to each
couples of intensity and position + an artificial background, etc),
and when that real powder pattern has some aspects remaining
to be characterized (unindexed, structure unsolved, anisotropic
peak broadening not well characterized, etc). But, how many of
such interesting cases are really in the various PDF-4 ???

Armel



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