Re: [Ifeffit] Ni standard spectra

Dear Qiang, please check here for references: https://urldefense.us/v3/__https://mdr.nims.go.jp/collections/qz20st57x?utf8=**B&cq=ni&sort=__;4pyT!!G_uCfscf7eWS!dMq5k-AqagWlGvPzorQwK2VKGoFbwtPLMPkwTX4fSPGlg9Xc9ZHCmD1aag9s7ZBJQk7TNBbnOvgfghOjnejnth5XqIHoRY9yF1y3ibn8mqqa$ Best regards. (^ㅇᆽㅇ^)(=˃ᆺ˂

Re: [Ifeffit] Problem with cif files using Larch

elated with Mn. > After that, Make another structure in same cif, Ni instead of Mn. You can > get the path of Ni. > Then, use them > > 2024년 2월 15일 (목) 오후 3:36, Otal Eugenio 님이 > 작성: > >> Dear all. >> I am trying to generate the path for fitting Mn and Ni K edge at &g

[Ifeffit] Problem with cif files using Larch

Dear all. I am trying to generate the path for fitting Mn and Ni K edge at LiMn1.5Ni0.5O2 using cif files from ICSD. I receive this error: *Elements: ['Li', 'Mn', 'Ni', 'O']Sites: [2.08337619 6.16682619 6.08352381] Li:0.980Traceback (most recent calls last): File "C:\Users\Me\xraylarch_2023

Re: [Ifeffit] Ir standards

Dear Olga, Check here: https://mdr.nims.go.jp/catalog?utf8=%E2%9C%93&locale=en&search_field=all_fields&q=IrO2 https://mdr.nims.go.jp/catalog?utf8=%E2%9C%93&locale=en&search_field=all_fields&q=Ir Best regards. (^ㅇᆽㅇ^)(=˃ᆺ˂=)(=🝦 ༝ 🝦=) Eugenio H. OTAL Assistant Professor Dept. of Materials Chemistry

Re: [Ifeffit] Fe K-edge maghemite (gamma-Fe2O3)

Dear Christian, Check this database: https://mdr.nims.go.jp/concern/datasets/1n79h782t?locale=en I hope it helps. Best regards. (^ㅇᆽㅇ^)(=˃ᆺ˂=)(=🝦 ༝ 🝦=) Eugenio H. OTAL Assistant Professor Dept. of Materials Chemistry Shinshu University 4-17-1 Wakasato, Nagano 380-8553, JAPAN eugenio_o...@shinshu

[Ifeffit] O K-edge energy shift in feff8

Dear all, I am simulating O K-edge from LiNi0.5Mn1.5O4 with partial fluoride substitution. I am starting from a DFT simulated cif file with 30 different oxygen atoms, so I am simulating each Oxygen for a later average and comparing them with experimental results. I am using these flags: * O K ed

Re: [Ifeffit] Shift in Eo when fitting PtO2 and similar samples

Dear Chen, Did you compare the spectra of Pt with the reference available here: https://www.aps.anl.gov/files/APS-Uploads/DET/Detector-Pool/Beamline-Components/EXAFS_Filters/Reference_XRay_Spectra.pdf Some edges, like Pd, are tricky. Best, euG (^ㅇᆽㅇ^)(=˃ᆺ˂=)(=🝦 ༝ 🝦=) On Thu, Aug 24, 2023 at 5

[Ifeffit] White line position shift

Hi all, I am dealing with in-situ battery measurements. While I am changing the voltage, the white line of TM is changing its position and intensity. The change in intensity can be related to the order as pointed out here: https://pubs.acs.org/doi/10.1021/acsami.0c13161 But what about energy shifts

Re: [Ifeffit] Problem with cif file in larch

defaultencoding()) > > > Unfortunately, the current code is not super helpful in reporting why it > couldn't read the CIF file - this should be improved! > > > > On Fri, Mar 24, 2023 at 2:20 AM Otal Eugenio > wrote: > >> Hi all, >> In November I was gener

[Ifeffit] Problem with cif file in larch

Hi all, In November I was generating the feff-path in Larch using the .cif file I attached. Now I am generating additional paths from another absorbing atom and I am getting the error message "Error opening .cif file" using the same .cif file. Any ideas? Best regards. (^ㅇᆽㅇ^)(=˃ᆺ˂=)(=🝦 ༝ 🝦=) Eu

[Ifeffit] Y2O3 E0

Hi all, I am aligning in energy Y substituted sample but using Zr foil as a reference, no Y metal is available at the BL. Does anyone have well-calibrated in-energy Y2O3 spectra? Best regards. (^ㅇᆽㅇ^)(=˃ᆺ˂=)(=🝦 ༝ 🝦=) Eugenio H. OTAL Assistant Professor Dept. of Materials Chemistry Shinshu Univers

[Ifeffit] Yttrium standars for oxidation state

Hi all, I need to confirm the oxidation state of Y in a sample. I found some reports about Y(II), does someone have something like it? I was looking in the databases and had no luck. Best regards. (^ㅇᆽㅇ^)(=˃ᆺ˂=)(=🝦 ༝ 🝦=) Eugenio H. OTAL Assistant Professor Dept. of Materials Chemistry Shinshu Uni