[Ifeffit] (no subject)

[Kelly, Shelly Diane]

Hello Joyti,

I'm not sure I know what your definition of 'exact' and 'average'.  The exafs signal comes from each atom that is probed by the x-ray beam. The total signal is exactly  an average of the local atomic environment of all atoms. If half the atoms have 4 carbon neighbors and the other half have 8 carbon neighbors at the same distance, the exafs signal will be that of 6 carbon neighbors.

Kind regards
Shelly


________________________________
From: Ifeffit <ifeffit-bounces at millenia.cars.aps.anl.gov> on behalf of Anatoly Frenkel <anatoly.frenkel at stonybrook.edu>
Sent: Monday, April 24, 2023, 11:06 AM
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] (no subject)

Joyti,

The coordination number of Rh-C bonds is defined as the total number of Rh-C bonds in the sample divided by the total number of Rh atoms in the sample.
Anatoly
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Anatoly I. Frenkel
Professor
Department of Materials Science and Chemical Engineering (primary appointment)
Department of Chemistry (affiliate appointment)
Stony Brook University
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Joint Appointment:
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On Mon, Apr 24, 2023 at 12:25 PM Jyoti Pandey <jyotipandey51092 at gmail.com<mailto:jyotipandey51092 at gmail.com>> wrote:
Hello everyone,

I have a cluster of 13 Rh atoms above the graphene sheet. The first coordination number that I am getting is around 1.65 (which is obtained by choosing a Rh-C) path. I am curious to know whether this value is the "exact" or the "average" coordination number w.r.t all the Rh atoms.

Thanks

With Best Regards

Dr. Jyoti Pandey, Ph.D.
Postdoctoral Researcher
Department of Physics
Central Michigan University, MI, USA
Mobile No. +1-928-265-0599
.....................................

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