Re: Size/Strain Round Robin and Rietveld method

2000-11-16 Thread Armel Le Bail
>However, if you carefully read some of his recent papers, you may >find the answer there (the paper on CeO2 by his group was published in Chem. >Mater.; I don't have it handy but can find out the exact citation if >needed). I hope this was not exactly the same sample because a Round Robin is s

Re: Natrite - Na2 CO3

2000-11-16 Thread Frank L. May
My further thought on this thread about publishing copyrighted material is that anyone who flagrantly says "here are the ICSD entries for ..." is welcoming a visit from the authorities. Both the person and that person's employer may be liable to civil penalties. I'm not a lawyer, but I do read t

Re: Size/Strain Round Robin and Rietveld method

2000-11-16 Thread Davor Balzar
> >Yes, it was done (see J. Appl. Cryst. 26 (1993) 97-103) and the > >column-length distribution function appears to have an "acceptable" > >asymmetric shape for tested samples. > > You mean that whatever a Voigt function, it corresponds to a > reasonable size distribution function ? This is hard

Re: Size/Strain Round Robin and Rietveld method

2000-11-16 Thread Armel Le Bail
>Yes, it was done (see J. Appl. Cryst. 26 (1993) 97-103) and the >column-length distribution function appears to have an "acceptable" >asymmetric shape for tested samples. You mean that whatever a Voigt function, it corresponds to a reasonable size distribution function ? This is hard to believ

QPA Round Robin

2000-11-16 Thread Madsen, Ian (Minerals, Clayton)
> -Original Message- > From: Armel Le Bail [mailto:[EMAIL PROTECTED]] > Sent: Friday, 17 November 2000 2:16 AM > To: [EMAIL PROTECTED] > Subject: Size/Strain Round Robin and Rietveld method SNIP SNIP > Best, > Armel Le Bail > http://www.cristal.org/ > PS - Are the results

Re: Size/Strain Round Robin and Rietveld method

2000-11-16 Thread Davor Balzar
> > >Very often, a simple assumption that > >size-broadened profile has both Lorentzian and Gaussian terms yields > >satisfactory results. > > Well, this assumption is easily entered in a pseudo-Voigtian or Voigtian > profile shape model. But the corresponding size Fourier coefficients > AnS are

Re: Size/Strain Round Robin and Rietveld method

2000-11-16 Thread Armel Le Bail
>Very often, a simple assumption that >size-broadened profile has both Lorentzian and Gaussian terms yields >satisfactory results. Well, this assumption is easily entered in a pseudo-Voigtian or Voigtian profile shape model. But the corresponding size Fourier coefficients AnS are never checked

Re: Size/Strain Round Robin and Rietveld method

2000-11-16 Thread Davor Balzar
Dear Armel: Although I sent the message unintentionally to the whole list, why not have a public discussion. > including Gaussian. But the size model is currently only > Lorentzian in ARIT. There is no way to have a pure Gaussian > shape for the size effect since it corresponds to unphysical > s

Re: Size/Strain Round Robin and Rietveld method

2000-11-16 Thread Armel Le Bail
>One comment regarding ARIT. I didn't go carefully through all the results >but my impression is your values are a bit underestimated. If you added >additional Gaussian term to your An, you should get results much closer to >WA. That should be relatively simple in your model (I think:-)? Of cours

Re: Size/Strain Round Robin and Rietveld method

2000-11-16 Thread Davor Balzar
Hi Armel: I am impressed -- nice report:-) One comment regarding ARIT. I didn't go carefully through all the results but my impression is your values are a bit underestimated. If you added additional Gaussian term to your An, you should get results much closer to WA. That should be relatively si

Size/Strain Round Robin and Rietveld method

2000-11-16 Thread Armel Le Bail
Hello, For the impatients wishing to compare (I am - why waiting so long...), here are some Size/Strain Round Robin results from a participation by using a Rietveld program : http://sdpd.univ-lemans.fr/microstruct/ssrr/ Owing to the simplicity of the CeO2 pattern (no overlapping), a Rietveld p