Well, for those continuing to search, do not read the following... Armel The interesting pattern we chose for our new logo is 02-070-9530, Morphine. Best...
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徐君
xujun16@...
Jun 8, 2011 2:21 am
Dear Teacher Armel, Thank you. :D Best Regards, Xu jun At 2011-06-07 23:18:58,"Armel Le Bail" <armel.le_bail@...> wrote: Well, for those...
Hi, A recurrent subject... Hydrogen atoms are a kind of curse to conventional X-ray Powder Diffraction SDPD experts. No kidding, a real plague. With or without...
Dear colleagues! Quite simple question, but it is caused by a lack of the experience. How to collect data for instrument resolution file properly? The...
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徐君
xujun16@...
Jun 24, 2011 3:26 pm
Dear Riffat, How to collect data for instrument resolution file properly? In my opinion, same to your XRD experiment condition collecting your sample data. ...
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Martin Schmidt
m.schmidt@...
Jun 24, 2011 4:28 pm
Some remarks on H atoms in SDPD for organic compounds: 1) The H bond pattern should be visible, even if the H atoms are only on calculated positions. If the...
Dear Armel, I am just wondering, if H position are required, why not go and collect neutron diffraction data? Yours Sincerely ... Xiaodong (Tony) Wang ...
Hi Riffat, You may want to have a look on this paper: Cline, J. P., Black, D., Gil, D., Henins, A. & Windover, D. (2010). Materials Science Forum 651, 201-219....
Dear Armel, It would be more rational to consider H-atoms not as a curse and a plague, but as one of those rare and thus precious indicators of the structure...
Dear Leonid, Seeing H atoms on Fourier maps from laboratory powder X-ray data, and refining their atomic coordinates without any constraint depends on the...
hello, dear all, I'm very interesting in Rietveld, and I just begin studying how to refine the mineral structure. The following is an example of my result by...
thanks Dr Armel, I'm going to recollect a pattern of this sample. however, I feel that there are something which I have ingnored for my work during the...
Dear All, Can anybody send me the .cif file for Sodium para-tolune sulphonate. If you know about how to get get kindly inform. Thanking you in advance. ...
Dear Colleagues, Could you, please, send me (or give a reference to) the X-ray scattering factor coefficients [a1 b1 a2 b2 a3 b3 a4 b4 c] of the S2- ion. I...
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xujun16@...
Jul 10, 2011 1:18 am
Dear colleagues, The files attached contain pcr and raw data. The question is whether the structure model is right or not for this Rietveld refinement? How to...
... No attachment allowed since >10 years. Armel...
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徐君
xujun16@...
Jul 10, 2011 11:03 am
Dear Teacher Armel, It is embarrassed. :-D Thank you for the infomation and all your help. With my highest regards, Xu Jun ... No attachment allowed since >10...
Dear Xujun, you can copy your data here, and so we all browse your files. From: 徐君 <xujun16@...> To: sdpd@yahoogroups.com Sent: Sunday, July 10, 2011...
The files can be downloaded there : http://www.cristal.org/temp/for-help.zip Well, with 2-theta max = 30°, Cu K-alpha, 94 independent atoms, some treated with...
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徐君
xujun16@...
Jul 11, 2011 1:03 am
Dear colleagues, Thank you for all help, and kind suggestion. Thank you for your time. With my best regards, Xu Jun At 2011-07-11 00:26:04,"Armel le Bail"...
Dear all, The program for the meeting has been finalized and can be found here: http://www.bruker-axs.com/topas_users_meeting_2011.html Please note the...
Dear Xiaodong, Thank you for the reference, I know this work, but it gives the coefficients for neutral S atom only, not for the S2- ion. It seems that the...