[Ifeffit] Linear Combination Fitting using ATHENA
Teck Kwang Choo
teck.kwang.choo at monash.edu
Sun Aug 11 22:12:31 CDT 2013
The database: http://cars.uchicago.edu/~newville/ModelLib/search.html does
not seem to have Ferrite.
The matrix of my sample is largely Mg-ferrite where Fe is in the form of Fe
(III). If you anyone has the spectra for Mg-ferrite, would it be possible
to provide it to me? Otherwise, I do not think my sample spectra would be
useable at all!
Thanks and kind regards.
On 10 August 2013 02:21, Matthew Marcus <mamarcus at lbl.gov> wrote:
> I would guess that you need better standards. In particular, FeO is not
> your typical Fe(II) mineral or oxide. What is the system you're working on?
> I have an extensive collection of Fe XANES reference spectra, including a
> number of Fe(II) species.
> LCF gives you the fraction of Fe atoms included in the sample. For
> example, suppose you had a sample which was genuinely a mix representable
> as FeO.Fe2O3. Then, LCF would properly report 2/3 Fe2O3 + 1/3 FeO because
> 2/3 of the Fe atoms are in the Fe2O3 fraction.
> On 8/8/2013 8:37 PM, Teck Kwang Choo wrote:
>> I have been using ATHENA to perform Linear Combination Fitting (LCF) on
>> my XANES spectrum to quantify the amounts of Fe (II) and Fe (III) in my
>> samples using only FeO and Fe2O3 as standards. The results showed a
>> majority of Fe (II), which is contrary to what was expected.
>> This made me wonder if the LCF results from XANES is a molar percentage
>> (mol %) or weight percentage (wt%).
>> Could anyone enlighten me on this matter?
>> Teck Kwang Choo
>> PhD Student
>> Department of Chemical Engineering
>> Room 225, Building 36
>> Monash University
>> Mobile No.: 04-11489904
>> Ifeffit mailing list
>> Ifeffit at millenia.cars.aps.anl.**gov <Ifeffit at millenia.cars.aps.anl.gov>
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.**gov <Ifeffit at millenia.cars.aps.anl.gov>
Teck Kwang Choo
Department of Chemical Engineering
Room 225, Building 36
Mobile No.: 04-11489904
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