... The following mini-tutorial is based on the 21/01/2000 manual describing the 20/07/2000 wfp2k Fullprof version. Actually, it is said that Fullprof can do...
414
L.M.D.Cranswick@...
Oct 1, 2000 5:30 pm
... I believe something that will be in Fullprof soon is spherical harmonics for preferred orientation and other general applications such as peak anisotropy. ...
415
Guilhem Dezanneau
gdezano@...
Oct 2, 2000 6:42 am
the first thing you have to do is to have an idea of the preferred orientation distribution (rocking curve on the (hkl) direction of preferred orientation). ...
416
Roberto Garcia
rgarcia@...
Oct 2, 2000 2:08 pm
______________________________________________ Roberto Garcia Senior Analyst, Metallography NC State University / Analytical Instrumentation Facility Campus...
417
youngdan
youngdan@...
Oct 2, 2000 6:50 pm
Andy Young youngdan@......
418
Armel Le Bail
armel@...
Oct 2, 2000 10:12 pm
Despite the still small number of published SDPDs per year (~50), seminars and workshops or symposiums are continuously raining, and none is advertised at...
419
L.M.D.Cranswick@...
Oct 3, 2000 5:47 am
... This is an interesting point - are you sure your database of structures solved from Powder diffraction is up to date and might not be missing some organic...
420
L.M.D.Cranswick@...
Oct 3, 2000 6:03 am
... [text deleted] ... Have wanted to reply to Armel's comments before but delays abound. Isn't the importance of having GUI's on "real space" structure...
421
Armel Le Bail
armel@...
Oct 3, 2000 7:28 am
... If you mean that no error is possible with a GUI, I must disagree. Verifying each parameter, one by one, twice, with any text editor, will be as efficient...
422
Armel Le Bail
armel@...
Oct 3, 2000 9:14 am
... For the SDPD Database, bibliography is verified once each year by using the ISI Current Contents CD-ROM (annual) with appropriate keywords. Of course...
423
Ariel Gomez
ariel_g_g@...
Oct 5, 2000 2:21 pm
Hi All, My colleagues are purchasing a new diffractometer, which will be dedicated to structure determination and Rietveld refinement. We thought about getting...
424
Armel Le Bail
armel@...
Oct 5, 2000 3:00 pm
... You will find a lot of comparisons at the following Web page, including data from systems equipped with Peltier cooled analyser : ...
425
cockcroft@...
Oct 5, 2000 5:55 pm
With regard to the geometry, I would suggest that you go for a transmission setup and not the standard Bragg-Brentano reflection one if you want a setup...
426
L. Cranswick
L.M.D.Cranswick@...
Oct 8, 2000 4:02 pm
For indexing purposes - how would the "transmission" mode system compare to a Bragg-Brentano reflection system? Lachlan. ... -- Lachlan M. D. Cranswick ...
427
ROBIN SHIRLEY (USER)
R.Shirley@...
Oct 9, 2000 9:47 am
In general, if I had to carry out indexing work from a *single* set of powder diffraction data, I would prefer it to be collected in transmission geometry...
428
cockcroft@...
Oct 9, 2000 12:54 pm
I basically agree with Robin Shirley's earlier comments. I would add that the transmission setup can be optimized further than we do here regarding resolution...
429
L. Cranswick
L.M.D.Cranswick@...
Oct 9, 2000 1:21 pm
If transmission setup is recommended for Rietveld as given below: What methods are used for handling absorption/packing density so that thermal parameters can...
430
XIA Changtai
cxia@...
Oct 10, 2000 3:04 am
Dear All, I'm trying to use the Hydrogen addition function of Babel by Pat Walters and Matt Stahl, however, not yet scceed. I may having problem with the file...
431
Armel Le Bail
armel@...
Oct 10, 2000 7:51 am
... The file extension is different for Babel... You have to rename either a .ins or .res classic SHELX file into a .she file recognized by Babel. Not obvious...
432
Armel Le Bail
alb@...
Oct 11, 2000 12:35 pm
... About the Kalpha-2 component, I have a different point of view. In order to explain it, I have installed some figures in a Web page entitled : "K-alpha :...
433
cockcroft@...
Oct 11, 2000 2:25 pm
... I prefer to believe my eyes (given that the 3 ifs mentioned in your web page are not satisfied in my experience) - afterall that is why ones uses obs &...
434
Armel Le Bail
armel@...
Oct 11, 2000 2:49 pm
... Well, even if not completely resolved, the alpha-2 component is removable by one of the 50 or so alpha-2 correction methods (almost all published in the...
435
Jaap Vente
jaap@...
Oct 11, 2000 3:12 pm
The discussion is now should one buy a machine with or without primary monochromater, or in other words without or with Kalpha2. In my experience based on...
436
Jon Wright
jpw22@...
Oct 11, 2000 3:24 pm
... It'd also be interesting to see if our what our eyes can see could agree with physics and mathematics. I prefer when they do :) How do the numbers compare...
437
Armel Le Bail
armel@...
Oct 11, 2000 3:36 pm
... I agree, perfection is not in that world. However, I would not say NOT reliable, I would say only slightly imperfect. And about imperfection, it is also...
438
cockcroft@...
Oct 11, 2000 3:55 pm
... Use a Rietveld with mu.r built in that takes account of the absorption - though to some extent the success of this will depend on the severity of the...
439
Shankland, K (Kenneth)
k.shankland@...
Oct 13, 2000 8:01 am
SCIENTIFIC PROGRAMMER IN DATA ANALYSIS (3 years Fixed-Term) ISIS Facility, Rutherford Appleton Laboratory, Oxfordshire ISIS is the world's leading pulsed...
440
Georges Denes
gdenes@...
Oct 14, 2000 12:46 am
Hi everyone: One of our graduate students is looking for the crystal data for Lu2O3 (unit-cell parameters, x y z of the atoms, etc...) and he cannot find them....
441
Joe Rongen
joe@...
Oct 14, 2000 1:41 am
... From: "Georges Denes" <gdenes@...> To: <sdpd@egroups.com> Sent: Friday, October 13, 2000 8:47 PM Subject: [sdpd] Re: crystal structure of...
442
Guilhem Dezanneau
gdezano@...
Oct 14, 2000 10:02 am
Hi, found in Crystal structures - Wyckof - vol.2 Lu2O3- bixbyite structure - Ia3 - a=10.391 Lu1 0.25 0.25 0.25 Lu2 u 0 0.25...
