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Re: [sdpd] model based structure refinement
- To: sdpd...@yahoogroups.com
- Subject: Re: [sdpd] model based structure refinement
- From: Cristian Perca <cristianperca...@yahoo.com>
- Date: Wed, 26 Aug 2009 00:45:25 -0700 (PDT)
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Hi,
I would say that if you know the space group, cell parameter and approximate atomic position, your structure is already solved. I suppose that what you want to do is to refine the crystal structure: for this you have to use some Rietveld refinement program, such as FullProf, GSAS... and input your initial parameters and have the program refine them.
Hope this helped
Cristian PERCA
LAMBE
Univ. d'Evry val d'Essonne
Rue du père Jarlan
F-91025 Evry Cedex
Tel: +33 (0) 1 69 47 77 03
Fax: +33 (0) 1 69 47 76 55
cristianperca...@yahoo.com
--- On Wed, 8/26/09, muhammad ali <aliphy2002...@yahoo.com> wrote:
From: muhammad ali <aliphy2002...@yahoo.com>
Subject: [sdpd] model based structure refinement
To: sdpd...@yahoogroups.com
Date: Wednesday, August 26, 2009, 9:44 AM
dear sir
if the sufficient knowledge about the structure is known(eg. lattice parameters, space group, approximate atomic positions etc), then what must be the stategy to solve similar structures.
i m working on soft ferrites which have spinel structureand space group Fd-3m.
i have made a lot of literature survey, but i cannot find the proper guidance about it
thanks in anticipation
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