[Ifeffit] EXAFS fitting for regular & distorted monoclinic

Matt Newville newville at cars.uchicago.edu
Wed Apr 25 22:01:56 CDT 2018


Hi Ashwani,


On Wed, Apr 25, 2018 at 1:27 AM, Ashwani Kumar <ashwani.ism at gmail.com>
wrote:

> Hello everyone,
> I am new to the mailing list. i am Fitting data of regular and distorted (
> from irradiation) NBS glass doped with Hafnium. Literature available Hafnia
> (monoclinic) data is taken as standard model to fit the data (monoclinic)
> of regular glass.
> Now i want to fit the distorted glass data with exafs result of regular
> glass data as standard model. or will it be ok , to also fit the distorted
> glass data with hafnia as standard model. .
>


I think it sort of depends on how distorted you expect the glass to be.  I
would expect that the Hf-O distance in the glass probably isn't too
different from the in the crystal.  So, the crystal structure is a
reasonable place to start, as long as you keep an open mind that it will
probably not be perfect and may need tweaking.

--Matt
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