Hi, Year 2000 may see the PDF-3 commercialized with 3000 powder patterns, I don't know. PowBase contains now exactly 150 constant wavelength patterns,...
199
Thomas Dyer
t.d.dyer@...
Jan 5, 2000 10:51 am
Does anyone know of any freeware available for determining the equilibrium crystal shape of a compound using Wulff construction methods on a PC platform. So...
200
ouyang@...
Jan 15, 2000 12:33 am
Hello from Texas, Can somebody tell me the control card (term) that tells GSAS to read in esd data? BTW, when I used powder V2.0 to convert GSAS esd data to...
201
Lubomir Smrcok
uachsmrk@...
Jan 17, 2000 1:30 pm
Hello everybody, we are looking for a SW (non-commercial, pls) which can show two independent structures in one picture. To explain : suppose you have a ...
202
ouyang@...
Jan 17, 2000 6:38 pm
Hi Group, My question might be better posted to rietveld group. Well, cause many of you also do rietveld, I would like to ask a short question. Can the GSAS PC...
203
Apurva
mehta@...
Jan 19, 2000 2:40 am
... Answer is Yes. We routinely have diffraction files with 12-16K points. And we haven't had any problems with them. ...
204
L. Cranswick
L.M.D.Cranswick@...
Jan 19, 2000 11:35 pm
There is an example run-through of using the EXPO direct methods structure solving software for powder diffraction (sequel to Sirpow from the Sirware group) to...
205
Armel Le Bail
armel@...
Jan 20, 2000 12:34 am
... ESPOIR is last chance choice, but works for neutron powder data as well as X-ray (and single crystal too). No problem with the urea test file (too easy in...
206
Guilhem Dezanneau
gdezano@...
Jan 24, 2000 12:35 pm
Hi, i actually work on structure refinement (fullprof ) on nanocrystalline lanthanum manganites powders. I would like to take into account the crystallite size...
207
Dalius Rimsa
mp97dari@...
Jan 24, 2000 8:33 pm
Hello, I have written a code for calculating intermediate scattering functions and I am interesting to compare with the code written by others and in ...
208
Jon Wright
jpw22@...
Jan 24, 2000 8:33 pm
... I think there is a Voigt function buried in the CCSL profile refinement programs, which also includes an axial divergence asymetry correction (routine...
209
L. Cranswick
L.M.D.Cranswick@...
Jan 25, 2000 9:00 pm
There is a new version of the celref unit-cell refinement program for windows now available. This is also useful for helping with spacegroup assignment from...
210
Yong-Il Kim
yikim@...
Jan 27, 2000 12:24 am
Hi, Everybody Does anyone know the crystallographic information (S.G, atomic positions, lattice parameters and etc) of CaAl2O4, Thanks in advance, Yong-Il Kim ...
211
Armel Le Bail
armel@...
Feb 2, 2000 7:22 pm
Hi, SDPD was the subject of the first conference given at the recent "Sixth International School and Workshop of Crystallography", Ismailia, 22-27 January...
212
Armel Le Bail
armel@...
Feb 4, 2000 12:35 pm
Willing to be kept informed on seemingly important software, I constantly ask for news. However, years are passing and availability is still delayed concerning...
213
Dr. Kenneth Shankland
k.shankland@...
Feb 4, 2000 5:40 pm
Dear Armel, A short but sweet answer your query... As DASH is to marketed by CCDC, you should contact them directly to check on the latest news. I know for a...
214
Armel Le Bail
armel@...
Feb 4, 2000 6:23 pm
Thanks Kenneth, Well, it seems that emails from the SDPD mailing list are not distributed only to the subscribers... Steve Maginn subscribed 2mn after your own...
215
Lachlan Cranswick
l.m.d.cranswick@...
Feb 4, 2000 10:24 pm
... If the main(?) problem people encounter with solving from powders is reliable powder indexing - what percentage will ever get through to trying solve using...
216
Armel Le Bail
armel@...
Feb 5, 2000 10:00 am
... There is a new SDPD Round Robin equivalent running right now. It is continuously open, but with registration fees ;-) the SDPD Internet Course at : ...
217
K.Shankland@...
Feb 6, 2000 3:22 pm
Lachlan said ... I agree with Armel - who says that indexing is the big problem ? Lets keep things in perspective ! Structure solution is far from a "done...
218
Robin Shirley
R.Shirley@...
Feb 7, 2000 1:23 pm
What Armel actually said was that indexing is not *the* main problem but remains *one of* the main problems. I'd go along with that. Similarly I agree with...
219
MartinUlrich_Schmidt@...
Feb 7, 2000 3:54 pm
I agree with the comments of Ken, Armel, and Robin on indexing. Let me make just a small comment about indexing as beeing the first step in structure...
220
Steve Maginn
maginn@...
Feb 7, 2000 4:43 pm
Hi folks, This is my first post to this board, but I hope to become a regular contributor. CCDC will indeed be distributing DASH. We have an agreement with...
221
Peter Y. Zavalij
zavalij@...
Feb 7, 2000 4:49 pm
I don't agree with M.Schmidt's comments simply because "guessing, intuition or comparison with an isotypic known structure" and "energy minimization" are not ...
222
Guilhem Dezanneau
gdezano@...
Feb 15, 2000 1:21 pm
Hi, I have a problem to solve the determination of flat plate nanocrystallite dimensions. Indeed, conversely to classical cases, my crystallites consist of...
223
Armel Le Bail
armel@...
Feb 15, 2000 3:47 pm
If I understand well your 30*200*200nm (as seen by electron microscopy ?) nanocrystallites powder diffraction data are well fitted (Rietveld ?) by an isotropic...
224
Guilhem Dezanneau
gdezano@...
Feb 16, 2000 9:47 am
Indeed, crystallites have been observed by TEM. my compound, synthesised by spray pyrolisis consists of spheric (Phi=0.4µm) shells with a thickness around...
225
Daniel Chateigner
daniel.chateigner@...
Feb 16, 2000 11:25 am
are you integrating the all rings to get rid of possible orientations ? If so, did you operate all the necessary corrections of the images like concentricity,...
226
Guilhem Dezanneau
gdezano@...
Feb 16, 2000 12:03 pm
We have treated the diffraction image obtained with FIT2D and have taken into account all the parameters you mention... it is to note that the width W=0.0049...
227
Armel Le Bail
armel@...
Feb 16, 2000 12:55 pm
... Sometimes the size of the coherently diffracting domains seen by X-ray or neutron may not match the size observed by electron microscopy. However, it can...
