To follow up on Edmund’s comment, tin has a few different (and pretty distinct) crystalline phases. I think neither “white” nor “grey” tin has a near neighbor distance below 2.5 Ang. I don’t recall the structure of the other phase.
Tin is slightly complicated for a reference material. --Matt Dear A, I think you are trying to fit a peak which shouldn't be there. If you call 1. 8 to 3. 5 higher R space I think you are trying to fit an artifact of the FT. You should try and go back to the background subtraction etc. Cheers, Edmund ----- ZjQcmQRYFpfptBannerStart *This Message Is From an External Sender * This message came from outside your organization. ZjQcmQRYFpfptBannerEnd *From: *Welter, Edmund via Ifeffit <ifeffit@millenia.cars.aps.anl.gov> *Date: *Thursday, February 13, 2025 at 8:51 AM *To: *XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov> *Cc: *Welter, Edmund <edmund.wel...@desy.de> *Subject: *[Ifeffit] Re: Artemis: Rejects first shell fitting Dear A, I think you are trying to fit a peak which shouldn't be there. If you call 1.8 to 3.5 higher R space I think you are trying to fit an artifact of the FT. You should try and go back to the background subtraction etc. Cheers, Edmund ----- Original Message ----- From: "XAFS Analysis using Ifeffit" <ifeffit@millenia.cars.aps.anl.gov> To: "XAFS Analysis using Ifeffit" <ifeffit@millenia.cars.aps.anl.gov> Cc: avi...@ethz.ch Sent: Thursday, February 13, 2025 3:45:52 PM Subject: [Ifeffit] Re: Artemis: Rejects first shell fitting Hello! I was trying to fit the Sn foil reference . As a side note, I did check another literature (DOI 10.1149/2.0091412jss) who also fit the data between higher R space: 1.8 and 3.0 (3.5) Å, which I think is similar to my attempt at the fitting where the Sn1.1 and Sn1.2 at lower R were excluded from the fit to get a meaningful value of the parameters of the fit. I appreciate the help! Best, A ifeffit mailing list: https://millenia.cars.aps.anl.gov/mailman3/lists/ifeffit.millenia.cars.aps.anl.gov/ to unsubscribe, send mail to ifeffit-le...@millenia.cars.aps.anl.gov
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