diffraction software survey

2004-11-19 Thread Pavol Juhas
Dear colleagues, enclosed is your feedback to the Rietveld-list survey on powder diffraction software usage/preferences, which was conducted Nov 2003. Your replies were very helpful, as we are working on a detailed scope of diffraction software to be developed under the proposed DANSE project. We

3 Position at ISIS in the area of Crystallography

2004-11-19 Thread Radaelli, PG (Paolo)
Employment Opportunities at ISIS ISIS is in a period of major expansion, including the construction of a second target station, with an initial phase of 7 new instruments to be operational in 2008. We are looking for world-class scientists, instrument developers and electrical engineers who

Re: rietveld refinement

2004-11-19 Thread Leonid Solovyov
Let me put a more particular question on the size estimation from Rietveld refinement. If we refined the size-broadening parameters P and X of the Thompson-Cox-Hastings function (as they are defined in J. Appl. Cryst. (2004) 911) and corrected them for the instrumental contribution, then can we say

RE: rietveld refinement

2004-11-19 Thread Armel Le Bail
I'd have to disagree on this point - troublemaker I suppose! I've followed the work by Langford and Louer closely, and have successfully applied their techniques I do not understand on what point exactly you disagree. The cited paper about size effect in nickel hydroxyde is co-authored by D. Lo

RE: rietveld refinement

2004-11-19 Thread Whitfield, Pamela
Title: RE: rietveld refinement   >There was a strong size anisotropy. The X-ray study cannot >gives the shape (you see that I agree with you on that point), >an electron microscopy study showed that the coherently >diffracting domains are plate-like crystallites aggregated along >the c axis.

Re: Unexpected honour

2004-11-19 Thread Armel Le Bail
An alternative, a diversification, does not mean automatically a disidence. Let us not blurred a word very dear to people like me, rising and living most of the life in a dictatorial regime. Nowadays, the dissidence against communism is less distributed in the world. The new dissidence is against

Re: rietveld refinement

2004-11-19 Thread Armel Le Bail
Small error, sorry, three of the possible arrangement were : |--| | |--| | | |--|--| |--|--|--|--| |--| | | |--| | |--|--| | |--|--|--|--| |--| | | |--| | | | | |--| |--| |--| |--|

JOB: Instrument scientist for the high resolution powder

2004-11-19 Thread Dimitri Argyriou
Hahn Meitner Institute, Berlin Department of Magnetism Scientist Ph.D. (Physicist, Chemist) No. SF 2004/16 The Hahn-Meitner-Institut invites applications for a postdoctoral position in the area of neutron powder diffraction. The successful candidate will be the responsible scientist for the high

Re: rietveld refinement

2004-11-19 Thread Armel Le Bail
What we see in diffraction is the column lengths (volume & area averaged) and the classics were not full ignoring the shape and radius (radii) distribution(s). Nicolae Popa (Mister, Messieur, Don, Dom, etc.) Of course I agree with you that completely different shapes may correspond to the same dis

Re: Unexpected honour

2004-11-19 Thread Nicolae Popa
- >>Why "dissident" Armel ? >I am an adept of the open access to the knowledge, >your religion looks different. >Armel >from http://www.dictionary.com: >Disagreeing, as in opinion or belief. >\Dis"si*dent\, a. [L. dissidens, -entis, p. pr. of dissidere to sit apart, >to disagree; dis- + s

RE: Unexpected honour

2004-11-19 Thread Alan Hewat
>For me "no other choice" is an intolerable constraint. "The very existence of others may be seen as an intolerable constraint on the freedom of the individual." From "Liberty, Equality, Fraternity" by Jean-Marie Cardinal Lustiger writing on liberty and license. Just as I thought, it is a que

Re: rietveld refinement

2004-11-19 Thread Nicolae Popa
> > >The diffraction alone can not decide. Significantly different "physical" > >size distributions could describe equally well the peak profile > >(J.Appl.Cryst. v35 (2002) 338-346 - self citation too). > >Nicolae Popa > > Looking at your figures 6b1 and 6b2, I measure how we > differ on the sens

RE: Unexpected honour

2004-11-19 Thread Armel Le Bail
>I have no other choice but to use ICSD if I pretend to be >an expert/wizard (=adept ??) in inorganic chemistry. Armel, that is the nicest compliment I have ever heard about ICSD. Sincerely, Thanks ! Alan xxx See how we are different. For you this is a compliment. For me "no other choice" is an in

RE: Unexpected honour

2004-11-19 Thread Alan Hewat
>I have no other choice but to use ICSD if I pretend to be >an expert/wizard (=adept ??) in inorganic chemistry. Armel, that is the nicest compliment I have ever heard about ICSD. Sincerely, Thanks ! Alan xxx Alan Hewat, ILL Grenoble, FRANCE <[EMAIL PROTECTED]> fax (33) 4.76.20.76.48 (33) 4.7

RE: Unexpected honour

2004-11-19 Thread Armel Le Bail
I am happy to see that you are still a member of the Rietveld list and still use ICSD, I have no other choice but to use ICSD if I pretend to be an expert/wizard (=adept ??) in inorganic chemistry. The only word defining ICSD is : monopoly. The definitions below are explicite and adequate, so that

RE: Unexpected honour

2004-11-19 Thread Alan Hewat
>I am an adept of the open access to the knowledge, your religion looks >different. Ahh, so it is a question of Religion. (I should have known :-) Clearly a common title like "Sir" will not do. How about "Reverend", "Pontiff", "Grand Ayatollah"... Adept: [n] someone who is dazzlingly skille

RE: Unexpected honour

2004-11-19 Thread Armel Le Bail
Why "dissident" Armel ? I am an adept of the open access to the knowledge, your religion looks different. Armel from http://www.dictionary.com: Disagreeing, as in opinion or belief. \Dis"si*dent\, a. [L. dissidens, -entis, p. pr. of dissidere to sit apart, to disagree; dis- + sedere to sit: cf. F

Re: rietveld refinement

2004-11-19 Thread Armel Le Bail
The diffraction alone can not decide. Significantly different "physical" size distributions could describe equally well the peak profile (J.Appl.Cryst. v35 (2002) 338-346 - self citation too). Nicolae Popa Looking at your figures 6b1 and 6b2, I measure how we differ on the sense of "significantly

Bond angle and bond length

2004-11-19 Thread Krushna
  Hi, I am using FULLPROF program code for Rietveld refinement of XRD data. I don't know how to obtain values of bond angles and bond lengths by refinements, or some reliable freeware available to calculate. Please suggest. Krushna

RE: Unexpected honour

2004-11-19 Thread Alan Hewat
>>Seriously Thanks guys I did not know about this site till I retired and >>have wished I knew a lot earlier. >Try also the dissident SDPD Mailing List : Why "dissident" Armel ? I am happy to see that you are still a member of the Rietveld list and still use ICSD, but if your are trying for an

Re: rietveld refinement

2004-11-19 Thread Nicolae Popa
> methodology, if not that they are "physical" (I believe they are > "physical" in case of size-only effect). The diffraction alone can not decide. Significantly different "physical" size distributions could describe equally well the peak profile (J.Appl.Cryst. v35 (2002) 338-346 - self citation