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.rs@amu.ac.in wrote: Send Ifeffit mailing list submissions to
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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 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 --
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 _______________________________________________
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