Hi, The results about the UPPW Round Robin 2004 and the indexing benchmarks have been published : "Renewed Interest in Powder Diffraction Data Indexing" Jörg...
While the following is mainly optimised for single crystal structure solution and refinement - it can still be useful for powder diffraction as well. ... There...
Hello All: i am a green in the Rietveld refine and using of the Fullprof, here i have two questions : 1: what is the definition of the Biso, what is its range...
Dear all, I am working on the structures of even saturated n-carboxylic acids, CH3(CH2)nCO2, whit n from 8 up to 18 present in a monoclinic polymorph named C ...
Evelyn Moreno
evemoreno@...
Jan 13, 2005 4:16 pm
1457
... You would have single crystal neutron data, this would be significant. You would have synchrotron powder data at low temperature, you could have some...
Hi, I'd echo the comments of Armel. Without knowing how good the data are, how far out the compounds diffract, what constraints / restraints have been applied...
... I would, first, check whether the bond variations are reproducible. The simplest way is to prepare another sample of the same compound, recollect the data,...
Evelyn, ... On top of the very sensible comments already - your experimental data should have an opinion on this via a significance test. Fix the H-bond length...
Jon Wright
wright@...
Jan 14, 2005 9:36 am
1461
Dear all, Can anyone tell me which materials works for temperature difference calibration between sample position and sensor position in the temperature range...
At the moment we are developing control program for TAS and Single crystal machine. This program is being developed in Java code, so I just think if anyone...
FEI, Yang
yang.fei@...
Jan 18, 2005 4:56 am
1463
Post-doctoral vacancies in crystallography The Italian National Research Council (CNR), through IC (Institute of Crystallography) is offering some fellowships...
The SCHAKAL structure plotting software (PC and UNIX) by Egbert Keller has been transferred into the public domain and is now freely available via the web: ...
... So, this is a kind of background extraction method in a sense ?-). Not seen in the paper how to calculate the Bragg R factor or RF, nor how to obtain...
... Since the difference curve after a successful DDM refinement can be considered as an approximation of residual background, one may use DDM also for...
From: Peter L. Lee [mailto:pllee@...] Sent: Friday, January 21, 2005 11:32 AM Dear All, The first scientist position for 11-BM has finally been posted....
I have set the "pr1 pr2 pr3" as "0 0 1" and refined the "pref1" parameter in the fullprof2k. After the cycle, I find that there are some other preferred...
Dear all What is the relationship between Biso (isotropic Debye-Waller factors) and isotropic U-value? Biso/U=4pi*square? With best wishes.
-- USTC Alumni...
Posted on behalf of Jean-Pierre Charland =============== Canadian National Committee for the IUCr - Larry Calvert travel award for IUCr 2005, Florence, Italy ...
The latest IUCr Computing Commission newsletteris viewable via: http://www.iucr.org/iucr-top/comm/ccom/newsletters/2005jan/ Besides having articles of general...
Preliminary registration for IUCr Siena 2005 Crystallographic Computing School http://www.iucr.org/iucr-top/comm/ccom/siena2005/ Main reason for posting: If...
Good evening, I have a question about Miller indexes (h k l) in the space group R-3c (n° 167): in the article Chem. Mater. 2003, 15, 2084-2093 the authors...
Marco Sommariva
marco.sommariva@...
Feb 2, 2005 5:22 pm
1475
Dear colleagues I would like to call your attention to the powder diffraction capabilities at the Lujan Center for neutron scattering at Los Alamos National...
Anna Llobet
allobet@...
Feb 2, 2005 5:29 pm
1476
The conditions limiting the possible reflections for the space group R-3c are, for the class h0l, 2h+l=6n so the reflection 303 is clearly forbidden, in that...
ferdinando costantino
fcost77@...
Feb 3, 2005 9:22 am
1477
Thanks for your fast answer, but I don't see in R-3c the condition you write about: I see only h -h 0 l, that is equivalent in ordinary Miller indexes to h -h...
Marco Sommariva
marco.sommariva@...
Feb 3, 2005 9:43 am
1479
Dear Crystallographers, does anybody know if the ratio between k-alpha1 and k-alpha2 can change during the life of a conventional Cu-X-ray tube ? Thanks to...
Marco Sommariva
marco.sommariva@...
Feb 4, 2005 4:21 pm
1480
... The ratio between K-alpha1 and K-alpha2 is due to the relative population between the energy levels in your Cu atoms. The Kalpha fluorescence is due to ...
Vincent Favre-Nicolin
vincefn@...
Feb 4, 2005 7:06 pm
1481
Hi, There was a case for which we found alpha1/alpha2 ratio is changing. That was with a Siemens D5000 equipped with a Goble mirror. Due to aging, tube's ...
DEAR ALL I have made thin films of AN AMORPHOUS ALLOY and unfortunately the phases that i found are VERY MUCH different from the bulk and i am not able to...
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