>I am sure you will list all interatomic distances soon.
No problem:
https://sites.google.com/site/ddmsuite/home/ZSM-5.cif
https://sites.google.com/site/ddmsuite/home/ZSM-5.png
Laboratory CuKa1,2 data at 200C in vacuum.
_computing_structure_refinement DDM
_refine_ls_number_parameters 112
_refine_ls_number_restraints 0
The distances and angles are listed in the CIF
Hope it is soon enough.
*******************************************************
Leonid A. Solovyov
Institute of Chemistry and Chemical Technology
660049, K. Marx 42, Krasnoyarsk, Russia
http://sites.google.com/site/solovyovleonid
*******************************************************
On Wednesday, October 16, 2013 8:55 PM, Armel Le Bail
<[email protected]> wrote:
>Ice Age in Powder Diffraction
>Powder Diffraction Restrained in Permafrost
>Cool Powder Diffraction (CPD)
Once upon a time In Cretaceous age of powder diffraction, there was a
Rietveld Refinement Round Robin (1989, published in 1992 and 1994).
Of the three cases considered (PbSO4, m-ZrO2 and ZSM-5), no result
was discussed for the latter because most participants (only 6
recorded a pattern of the sample) concluded that this material
contained too much crystal size broadening to permit a meaningful
refinement of the zeolite framework structure.
You may find one of the recordings there (X-ray, CuKalpha)
http://pcb4122.univ-lemans.fr/powbase/167.zip
Quite much simple than a protein. What do you feel about it in the Ice Age ?
As a RRRR participant, I made a fit with structure fixed which led
already to RB~6%.
I did not dare to refine coordinates (so this is full-constraints
which you don't like more than restrainsts I guess).
I am sure you will list all interatomic distances soon.
Best,
Armel
RRRR open access papers :
http://scripts.iucr.org/cgi-bin/paper?gl0234
http://scripts.iucr.org/cgi-bin/paper?gl0318
Even synchrotron data were recorded of that RRRR ZMS-5(TPA) sample,
if someone know where to find them ?
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