[Ifeffit] Two phases EXAFS fitting-help

Chen, Danting danting.chen.19 at ucl.ac.uk
Tue Nov 10 03:43:25 CST 2020


Hi Mr/Ms,

I have a sample and get a two major phases result by linear combination analysis, one dominate 59.5% of hydrozincite( and another is 33.5% zinc phosphate (. I would like to use Artemis to fit the k-space and the first shell of R-space.
For R-space, my idea is to fit the first Zn-O shell since both dominate phases are both tetrahedral and octahedral coordination and the first shell is the similar environment.
For k-space, shall I fit each phase with the sample individually and then sum the different weight of fitting curve together to see how it fit finally? If it is right, may I ask how exactly it fits? I have no idea how the weight is set in Artemis or it can only be summed half by half?
Also, since my sample numbers are only two, I am unable to use PCA to fit. Except the above mentioned, is there anything else that I can do?
Sorry, I am a new learner of XAS and have many things to learn.

Best Wishes,
Danting

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