You might also ask the beamline scientist at APS Sector 9, Tianpin Wu
<t...@anl.gov>
carlo
On Fri, 8 Jun 2018, Anatoly Frenkel wrote:
Don,
I am sure that Paul Northrup (north...@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.ba...@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
se...@iit.edu http://phys.iit.edu/~segre se...@debian.org
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