Hi, I would be curious to know what are the search-match programs used along the ICDD clinics. The first week of the SDPD Internet Course is devoted to...
279
John Faber
faber@...
May 3, 2000 4:06 pm
The ICDD offers clinics in XRF and XRD. Details can be found on our web site: www.icdd.com For XRD, we offer: Session I - Fundamentals of X-ray Powder...
280
L.M.D.Cranswick@...
May 4, 2000 3:23 am
As WinGX links to many useful single crystal type structure solution programs - that can be applied to powder problems - am also posting here. WinGX also has...
281
L.M.D.Cranswick@...
May 6, 2000 1:08 am
There is a new version of CHEKCELL for Windows Powder Indexing Helper Software available on the web. This is part of the LMGP Suite by Jean Laugier and...
282
Dr. Michael Berndt
berndt@...
May 16, 2000 12:08 pm
Dear Endeavour users, the beta test phase for Endeavour has been extended to the end of July. Therefore an updated version can be obtained from our web site ...
283
L.M.D.Cranswick@...
May 16, 2000 8:12 pm
... I have been testing out the latest pre-release version of Chekcell - mainly to help get rid of some bugs out related to Array errors (of which the...
284
L.M.D.Cranswick@...
May 18, 2000 7:16 pm
A new bugfix and feature version of Chekcell is available on the web. This is a graphical powder indexing helper tool and part of the LMGP suite by Jean...
285
L.M.D.Cranswick@...
May 26, 2000 5:10 am
There is are new addition to the LMGP suite by Jean Laugier and Bernard Bochu called "Truecell". Truecell searches for more symmetric, higher symmetry cells...
286
Georges Denes
gdenes@...
May 26, 2000 6:51 pm
Hi: I have the reverse problem: one superstructure reflection forces me to quadrupole the three parameters, i.e. a, b and c of an orthorhombic basic cell,...
287
L.M.D.Cranswick@...
May 26, 2000 7:22 pm
... In the case of the Crysfire Suite - have you tried using all 7 applicable indexing programs on this data (ito, treor, dicvol, taup, lzon, fjzn and kohl)? ...
288
Georges Denes
gdenes@...
May 26, 2000 8:56 pm
Thank you for the answer. I have not tried the the Crysfire Suite on this problem yet. I thought there might be a simpler way of deriving a smaller cell from...
289
L.M.D.Cranswick@...
May 26, 2000 9:02 pm
... Sorry for using the jargon - yes - deleting some of the weak intensity peaks could be invenstigated if using the available indexing programs in Crysfire...
290
Georges Denes
gdenes@...
May 26, 2000 9:09 pm
Thank you very much for the clarification. Georges ==========================================================================...
291
Armel Le Bail
armel@...
May 27, 2000 2:37 pm
... Using words such as "superstructure reflection" would mean that the substructure was determined, but you did not say if the substructure was determined. In...
292
Neeraj
neeraj@...
May 27, 2000 3:38 pm
Hello everybody, I have a problem. I have an extended structure in which the framework structure is negatively charged. I do have as guest species counter...
293
Armel Le Bail
armel@...
May 27, 2000 4:37 pm
... If not already done, perform some valence bond calculation and see if there is not some problem in another place than your K atom position which has few if...
294
Neeraj
neeraj@...
May 28, 2000 1:55 pm
Thanks a lot for your suggestion Prof. Le Bail. I'll surely try to do these bond-valence calculations. I'm not sure if there is any chance at all to have Cl...
295
Armel Le Bail
armel@...
May 28, 2000 2:38 pm
... Without data I can only give general advice ;-). But I can tell stories like unexpected reactions with containers during synthesis or pollution of the...
296
Georges Denes
gdenes@...
May 29, 2000 9:20 pm
Thank you, Armel for your excellent suggestion. Georges =============================================================================...
297
Sam Sinha
sinha_srd@...
May 30, 2000 5:34 am
neeraj what is the formula or chemical composition of the compound you ran the structure of? if it is a subhalide and then you should reconsider calculating...
298
Armel Le Bail
armel@...
Jun 4, 2000 1:58 pm
Hi, Even if the sun was capricious and the rain almost constant, EPDIC-7, 20-23 May 2000, Barcelona, will certainly stay in the participants memory, at least...
299
Armel Le Bail
armel@...
Jun 6, 2000 7:21 am
Hi, The latest addition into PowBase is In2O3, cubic variety (a=10.119 A; space group Ia3). http://sdpd.univ-lemans.fr/powbase/ This compound would be a nice...
300
Guilhem Dezanneau
gdezano@...
Jun 6, 2000 3:27 pm
hi, i would like to know if anybody knows about structure changing of Y2O3 from monoclinic to cubic. we have synthesised Y2O3 thin films by injection MOCVD and...
301
Yokochi, Alexandre
alex.yokochi@...
Jun 6, 2000 4:33 pm
Armel, The suggestion of In2O3 is very welcome. I too have struggled with finding a good calibration standard. For reflection mode I have hit on ZrW2O8,...
302
Lachlan Cranswick
L.M.D.Cranswick@...
Jun 6, 2000 4:51 pm
... While the above implies it can be used out of the bottle(?): Does In2O3 "need" any annealing or can it be used reliably out of the bottle? Also, what is...
303
Armel Le Bail
armel@...
Jun 6, 2000 6:11 pm
... Some annealing seems necessary if you compare the FWHMs (° 2-theta) of In2O3 and CeO2 recently distributed by D. Balzar for his Size/strain Round Robin...
304
L.M.D.Cranswick@...
Jun 6, 2000 6:26 pm
... The Y2O3 is annealed (1200 C for around two to three days?) - according to the equations of XFIT/Koalariet it has near zero strain and around 3000 Angstrom...
305
L.M.D.Cranswick@...
Jun 6, 2000 7:01 pm
Can the raw, uncorrected for intensity data for InO3 be put on the site or Emailed to those who are interested? (me for starters) The profiles of the ...
306
Armel Le Bail
armel@...
Jun 6, 2000 9:35 pm
... It is not determined. Moreover, CeO2 is part of this Round Robin, but In2O3 is not yet. The Round Robin is only at its first stage : recording patterns of...
307
L.M.D.Cranswick@...
Jun 7, 2000 4:10 am
There is now a tutorial on using XFIT to profile ADS (Automatic Divergence Slit) data in Fundamental Parameters mode: ...
