Hello I am coming back to powder diffraction after 5years! I want to convert D2b/d1a data into gsas raw data format. I tried with Powder 4 but I did not...
Queries on available graphics software for comparing similar structures have been pseudo-common on the sci.techniques.xtallography newsgroup. So I thought it...
The fourth edition of the IUCr Commission on Crystallographic Computing Newsletter with the theme of "Restraints, Constraints and using extra observables" is...
Dear all, I need structural models of 2 well known excipients and I couldn't find cell parameters, space group and atomic positions. Please someone could help...
didier.clenet@...
Aug 10, 2004 3:33 pm
1321
Are there good review references for refining structures in too high a symmetry; how to detect this and get to the correct spacegroup - preferably in...
... In the abstract, one can find : "The systematic absences were consistent with P21 /c and P21" Is there not a typo ? This would be understandable if the...
Dear All, I did the neutron experiment on 2 samples(LiCoO2, Li1.2Zr0.02Co0.98O2) LiCoO2 belongs to R-3m space group and easily refined. But Li excess, Zr doped...
Hi, Is there somewhere any cemetery of died Siemens D500 powder diffractometers where to grab for some pieces in order to try to repair a very old one (1982)...
Forwarded on behalf of Nicola Ashcroft of the IUCr (na@...) ===================================== The International Union of Crystallography is developing...
The BRASS - Bremen Rietveld Analysis and Structure Suite by Thomas Messner, Johannes Birkenstock, Reinhard Fischer (consultants: Michael Wendschuh, Christoph...
Hello, I'm a Fullprof user. In the files reporting bond length or angles calculations I obtain results such as: (Mn )-(O1 ): 1.9341 ( 10) (Mn )-(O1...
Alberto Martinelli
amartin@...
Sep 10, 2004 12:49 pm
1331
... The blank spaces in the parentheses are there (IMHO) just in case the ESD would be even larger. So, your result is 1.934(1) or 1.9341(10) if you really...
MessageNeither. Your result is 1.9341+-0.0010 or 1.934+-0.001. Notice , however , that 0.001 is not an error but a standard deviation or, in the latest...
Peter Zavalij
zavalij@...
Sep 10, 2004 2:08 pm
1333
Does anyone know what XRD data can be imported into BRASS? Peter Zavalij ... From: L. Cranswick [mailto:l.m.d.cranswick@...] Sent: Thursday, September 09,...
Peter Zavalij
zavalij@...
Sep 10, 2004 2:33 pm
1334
Hi All: May I know if a particular powder sample is in nano size and suspected to be coupled with strain effect, defects like stacking faults and vacaccies and...
... Very short advices...: Size effect - Identifying that your sample present domains of coherent diffraction smaller that 100 Angstroms is easy: the FWHM...
Dr Armel: Thanks a lot! I will take note of these strategies!! Regards, Yee Yan ... Very short advices...: Size effect - Identifying that your sample present...
A new binary command-line version for DOS/Windows of the Dicvol powder indexing software by D. Louer and A. Boultif and is now available on-line at the CCP14 ...
Hi, The results of the DICVOL04 benchmark tests are availabe at : http://sdpd.univ-lemans.fr/uppw/benchmarks/index.html#RESULTS The global note goes from -8...
Dear All, Can someone please send me the atomic coordinates of Ca and Sr chabazite data. Thanks in advance. Sunkyung [Non-text portions of this message have...
Dear all, An academic version of BRUKER-AXS TOPAS is now available to degree-granting institutions comprising universities, university run institutes,...
Hello, We are looking for two modules (in the chain of measurement Siemens) for a AED2 STOE-Siemens single-crystal diffractometer : - High Voltage Generator :...
Vincent Maisonneuve
vincent.maisonneuve@...
Sep 23, 2004 1:29 pm
1344
Dear all, My apologies for those whom may have downloaded the TOPAS-Academic demonstration version as there was an error in the ZIP file due to ftp problems....
Dear all, I'm refining some XRPD data of inorganic oxides with Fullprof; at the end of the refinement I found that the values of some M-O bond lengths are...
amartin@...
Sep 24, 2004 8:21 am
1346
... Yep ! See the manual : Line 11-2 : NDIST = number of distance constraints and then : Line 11-15*: NDIST number of lines of distance constraints A...
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