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* *http://www.researcherid.com/rid/G-8198-2018 <http://www.researcherid.com/rid/G-8198-2018>* *Email: a_ahad...@amu.ac.in <a_ahad...@amu.ac.in>, a...@mailaps.org <a...@mailaps.org> * On Wed, May 16, 2018 at 10:30 PM, <ifeffit-requ...@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-requ...@millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-ow...@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 <se...@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.2.21.1805151558480.17...@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...@amu.ac.in <a_ahad...@amu.ac.in>, a...@mailaps.org > > <a...@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 > se...@iit.edu http://phys.iit.edu/~segre se...@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 > **************************************** >
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