[Ifeffit] Ifeffit Digest, Vol 150, Issue 2

Abhijeet Gaur abhijeetgaur9 at gmail.com
Mon Aug 3 06:49:40 CDT 2015

Hi Scott,

              Thanks for your quick reply. So, I have to add more paths to
the fitting and then try to determine the size of the particle.

             Also, I want to add some analysis details to confirm that I am
on the right path.

             The value of amp is obtained from fitting of metal foil, i.e.,
0.84 (0.03) and is kept fixed during the fitting of the sample.

              S02 is defined by the formula  S02 =

With thanks


> Message: 2
> Date: Mon, 3 Aug 2015 07:11:53 -0400
> From: Scott Calvin <scalvin at sarahlawrence.edu>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Measuring particle size by coordination number
> Message-ID: <C61F6046-713C-4EC2-8F7A-536ECC43DEA5 at slc.edu>
> Content-Type: text/plain; charset="utf-8"
> Hi Abhijeet,
> The formula looks poorly when it is only applied with one path.
> The strength of this approach, and of Anatoly Frenkel?s alternative
> strategy for finding particle sizes, is that it compares coordination
> numbers for different shells, helping to break the correlations between N,
> S02, and sigma2.
> Even then, it tends to report sizes that are small compared to those
> provided by other techniques, but compares sizes between different samples
> quite well.
> ?Scott Calvin
> Sarah Lawrence College

*Dr. Abhijeet Gaur*
*Post doctoral fellow in the  Institute for Chemical Technology and Polymer
Chemistry *
*Karlsruher Institut für Technologie (KIT), Karlsruhe Germany.*
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