[Ifeffit] Interpreting old XANES data with missing standards

[Don Baker]

Dear Carlo,

Thank you so much for your suggestion.  I shall!

Have a wonderful weekend,

Don


On Fri, 2018-06-08 at 09:45 -0500, Carlo Segre:
> You might also ask the beamline scientist at APS Sector 9, Tianpin Wu 
> <twu at anl.gov>
> 
>   carlo
> 
> On Fri, 8 Jun 2018, Anatoly Frenkel wrote:
> 
> > Don,
> >
> > I am sure that Paul Northrup (northrup at bnl.gov) will help - he was the
> > beamline scientist at X15B and is likely to have the standards you need.
> >
> > Anatoly
> >
> >
> > -------------------------------------------------------------------
> >
> > On Fri, Jun 8, 2018 at 9:54 AM, Don Baker <don.baker at mcgill.ca> wrote:
> >
> >> Hello All,
> >>
> >> First let me apologize if the question below is inappropriate for this
> >> group, but I don't know of a better set of experts that I can ask.
> >>
> >> So, here is some background:
> >>
> >> I have some old S K-edge XANES data from NSLS X15B for S-bearing
> >> silicate glasses that was collected by a Ph.D. student who decided to
> >> leave for a good job rather than finishing their degree.  During my
> >> current sabbatical year I have been looking at the data and reading
> >> papers on the topic.  I think that I now understand, at least
> >> qualitatively, the changes in the spectra as a function of iron
> >> concentration in the glasses, but to perform quantitative modelling I
> >> need XANES spectra of MgS and CaS, which we did not think to collect all
> >> those years ago.  I have searched for XANES spectra of MgS and CaS on
> >> the CARS XAFS Data Library and on the XAFS Database at IIT without
> >> success.  I am unaware of other databases available.
> >>
> >> Now for for my questions:
> >>
> >> 1.  Does anyone know of a XANES database that contains MgS and CaS
> >> spectra?  (Or did I miss it in the databases I searched?)
> >>
> >> 2.  If I cannot find measured MgS and CaS spectra, what do you think
> >> about using calculated spectra (e.g., Zheng et al.,2012, NPJ
> >> Computational Materials, 12 -- which uses FEFF) for quantitative
> >> modelling?
> >>
> >>
> >> And information, ideas, and suggestions that you may have will be
> >> appreciated.
> >>
> >>
> >> Wishing you all the best from a spring morning in Montreal,
> >>
> >> Don
> >>
> >>
> >>
> >>
> >> --
> >> Melting rocks today for a better tomorrow . . .
> >> Don R. Baker, Professor of Geochemistry, Earth and Planetary Sciences,
> >> McGill University
> >>
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> >
> 

-- 
Melting rocks today for a better tomorrow . . . 
Don R. Baker, Professor of Geochemistry, Earth and Planetary Sciences,
McGill University