Dear Yang Hu, Your experience rings à bell in my mind: several times we got weird data from Co and Fe NPs, with S02 close to 0.2, much smaller than expected for a simple size effect. The point is that PDF studies were consistent with the so called Co Epsilon structure... based on the Mn beta phase, very disordered. By the way, I'd be very interested to check hypothesis on my side : I'd be very glad if you could provide me à data set. Sincerely, Pierre Lecante Le 13 mai 2022 19:00:01 GMT+02:00, ifeffit-request@millenia.cars.aps.anl.gov a écrit :

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Today's Topics:

1. structure for reference Mn foil (Hu, Yang (HIU))

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Message: 1 Date: Thu, 12 May 2022 18:29:19 +0000 From: "Hu, Yang (HIU)" To: "Ifeffit@millenia.cars.aps.anl.gov" Subject: [Ifeffit] structure for reference Mn foil Message-ID: <999901d0ad3743f59182feca823a08bd@kit.edu> Content-Type: text/plain; charset="us-ascii"

Dear IFEFFIT members,

I have been trying to obtain the S02 value from metal reference foils measured at the beamline.

However, I constantly got a very low S02 value, such as 0.2 or 0.3 using Mn alpha or gamma cif file (first shell of 12 Mn). Only Mn-beta (4 subshell * 3 Mn) could give a S02 in the range 0.8 ~ 1, depending on whether I constrained sigam2 for all the 12 Mn or whether I fixed the CN for each subshell. But the uncertainty is very high.

I also fitted the MnO measured together leaving S02 variable, and it resulted in a S02 close to 1. So I am guessing I didn't use the correct structure file for Mn foil .

I appreciate if someone could help on this!

Best regards,

Yang Hu