According to the IUCr it should be named 'other'.
See here:
cif tag 'atom_sites_solution_primary'
<http://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_sites_solution_primary.html>
best wishes, Arie
On Thu, 17 Dec 2015, Leonid Solovyov wrote:
What's the right nickname for the method of structure solution from
powders
In Russian we use an equivalent to 'structure decipher'.
Sometimes, however, this is really 'structure solution' when we apply
vodka in the process ;)
*******************************************************
Leonid A. Solovyov
Institute of Chemistry and Chemical Technology
660036, Akademgorodok 50/24, Krasnoyarsk, Russia
http://sites.google.com/site/solovyovleonid
*******************************************************
--------------------------------------------
On Thu, 12/17/15, Lubomir Smrcok <uachs...@savba.sk> wrote:
Subject: structure solution terminology
To: rietveld_l@ill.fr
Date: Thursday, December 17, 2015, 5:05 AM
Hi,
I feel I have a problem with terminology. What's the right
nickname for
the method of structure solution from powders, which instead
of analyzing
electron (nuclear) density shuffles atoms or molecules
around a cell and
compares experimental and calculated patterns ? It could be
well used also
for single crystal data, I know, but it is not routinely
done (yet ?).
I remember that colloquially used phrase "structure solution
in direct
space" woke me up several times during plenary lectures at
several
conferences. What are we having in direct space ? IMHO just
electron
(nuclear) density. Its FT is our diffractogram so that if we
fit
diffractogram, are we still in direct space ? Of course,
reciprocal space
is a pure math and diffracted beam is quite realistic (BTW,
are
there photons also in reciprocal space :-) ?). But in which
space are we when doing any
crystallographic calculation ? OK, OK, you know what I am
asking ... no
bad jokes, please.
May I ask for your 2 cents ?
Thanks,
Lubo
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Institut Européen des Membranes
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