[Ifeffit] Interpreting old XANES data with missing standards

[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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>

-- 
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 at iit.edu   http://phys.iit.edu/~segre   segre at debian.org