Hi Prof. Segre

Thanks for your reply,
I have used .cif file for the K2NiF4 type structure.
In this structure the first shell and first single path shows 6 coordination number. and the path is Ni to F1 with 2 leg. My concern is to use 4+2 model. Do i change the CN number or i have to add one more site. I cant visualize the situation. Becuase here the F have 2 sites i.e F1 and F2. And the path is only for the F1. While the diffrence between the bonds Ni-F1 and Ni-F2 is about 0.1 A. which lies under the resulution limit of my experiment via delta r and delta k relation.​



A. Ahad
--------------------
Abdul Ahad
Junior Research Fellow 
Dept of Physics
Aligarh Muslim University
Aligarh 202002 (U.P.), India

On Wed, May 16, 2018 at 10:30 PM, <ifeffit-request@millenia.cars.aps.anl.gov> wrote:
Send Ifeffit mailing list submissions to
        ifeffit@millenia.cars.aps.anl.gov

To subscribe or unsubscribe via the World Wide Web, visit
        http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
or, via email, send a message with subject or body 'help' to
        ifeffit-request@millenia.cars.aps.anl.gov

You can reach the person managing the list at
        ifeffit-owner@millenia.cars.aps.anl.gov

When replying, please edit your Subject line so it is more specific
than "Re: Contents of Ifeffit digest..."


Today's Topics:

   1. Re: 4+2 model for distortion (Carlo Segre)


----------------------------------------------------------------------

Message: 1
Date: Tue, 15 May 2018 16:00:08 -0500 (CDT)
From: Carlo Segre <segre@iit.edu>
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] 4+2 model for distortion
Message-ID: <alpine.DEB.2.21.1805151558480.17852@hydride.segre.home>
Content-Type: text/plain; charset=US-ASCII; format=flowed


Hi Abdul:

Are you strating with a cif file for a particular structure or are you
simply working with a quick first shell theory?

Carlo


On Wed, 9 May 2018, Abdul Ahad wrote:

> hi all
> How to include this model in atom that is 4+2 or 2+4 for 2short or 4 long
> bond length of octahedra
> thanks
>
>
> *A. Ahad*
> *--------------------*
> *Abdul Ahad*
> Junior Research Fellow
> *Dept of Physics*
> *Aligarh Muslim University*
> *Aligarh 202002 (U.P.), India*
>
> *http://www.researcherid.com/rid/G-8198-2018
> <http://www.researcherid.com/rid/G-8198-2018>*
> *Email: a_ahad.rs@amu.ac.in <a_ahad.rs@amu.ac.in>, ahad@mailaps.org
> <ahad@mailaps.org> *
>

--
Carlo U. Segre -- Duchossois Leadership Professor of Physics
Interim Chair, Department of Chemistry
Director, Center for Synchrotron Radiation Research and Instrumentation
Illinois Institute of Technology
Voice: 312.567.3498            Fax: 312.567.3494
segre@iit.edu   http://phys.iit.edu/~segre   segre@debian.org


------------------------------

Subject: Digest Footer

_______________________________________________
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit


------------------------------

End of Ifeffit Digest, Vol 183, Issue 14
****************************************