October 2020 - Ifeffit - millenia.cars.aps.anl.gov

XAS question
by Chen, Danting 29 Oct '20

29 Oct '20

Hi Mr/Ms, I am a new learner of XAS and meet a problem like before and hope you can give me some hints. [cid:image001.png@01D6ADDA.9D016B40] [cid:image005.png@01D6ADDA.9D016B40] I have a data set after merged and alignment. But at 11-13 A-1, the amplitude of k is much higher than normal but there seems no weird points at XAS spectrum. I wonder how I could deal with this part? If I shorter kmax and it must lose some important information. Best Wishes, Danting Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for Windows 10

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Advanced XAS Workshop at CLS
by Gosia Korbas 27 Oct '20

27 Oct '20

Hi all, On behalf of the BioXAS team at the Canadian Light Source, I would like to invite you to participate in the virtual Advanced XAS Data Analysis and Modeling Workshop to be conducted in four half-day (8 AM to 1 PM, UTC-6, Saskatchewan Time) remote sessions through WebEX on November 10, 13, 20 and 24. The workshop is organized by the BioXAS-Spectroscopy senior scientist, Roman Chernikov. For more details and registration (free) please follow the link: https://bioxas-spectroscopy.lightsource.ca/advanced-spectroscopy-workshop-2… We hope to see you there! Gosia Korbas --------------------------------------------------------------------- Gosia Korbas, Ph.D. BioXAS-Imaging Senior Scientist BioXAS-Sector Responsible Canadian Light Source Phone: +1-306-657-3859 BioXAS-Imaging website<https://bioxas-imaging.lightsource.ca/> gosiakorbas.net<https://gosiakorbas.net/>

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Athena error on Linux mint
by Kyle Kluherz 26 Oct '20

26 Oct '20

I recently successfully installed the Demeter suite on my Linux Mint 19 machine. Last week, I updated to Linux Mint 20, and now I get the following error when trying to run athena from the command line: Can't locate Demeter/Here.pm in @INC (you may need to install the Demeter::Here module) (@INC contains: /etc/perl /usr/local/lib/x86_64-linux-gnu/perl/5.30.0 /usr/local/share/perl/5.30.0 /usr/lib/x86_64-linux-gnu/perl5/5.30 /usr/share/perl5 /usr/lib/x86_64-linux-gnu/perl/5.30 /usr/share/perl/5.30 /usr/local/lib/site_perl /usr/lib/x86_64-linux-gnu/perl-base) at /usr/local/bin/dathena line 7. BEGIN failed--compilation aborted at /usr/local/bin/dathena line 7. I was wondering if there was a relatively easy way to fix this, or if the best recourse is to simply reinstall Demeter? It took some fiddling to install initially, so I don't want to reinstall it unless that's the easiest way to fix the issue. Also, the mailing list link on the Demeter home page (http://cars9.uchicago.edu/mailman/listinfo/ifeffit/) times out. Fortunately I was able to get a working link (https://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit) from a friend. Sincerely, Kyle Kluherz -- Kyle (Tk) Kluherz Graduate Student Gamelin & De Yoreo groups Department of Chemistry, UW Materials Science Division, PNNL

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Wyartite XAS spectrum?
by Mike Massey 17 Oct '20

17 Oct '20

Hi All, And now for something not-phosphorus... Does anyone happen to have a wyartite U L3-edge XAS spectrum laying around? If you do, and happened to be willing to talk with me about it, I would be most grateful. Kind Regards, Mike

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Re: [Ifeffit] P K-edge XANES spectrum question (Mangold, Stefan (IPS))- (Mike Massey); Re: Ifeffit Digest, Vol 212, Issue 7 (Luis Carlos Colocho Hurtarte)
by Ganga Hettiarachchi 16 Oct '20

16 Oct '20

Mike, Thanks, we will try diluted samples to make sure that this is not an issue due to concentration. Luis, Thanks for sharing those papers. We have plenty of OC in these systems, but Pb or other trace elements concentrations are very small (below 10 mg/kg). Best regards, Ganga -------------------- Ganga M. Hettiarachchi

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Re: [Ifeffit] Ifeffit Digest, Vol 212, Issue 7
by Ganga Hettiarachchi 16 Oct '20

16 Oct '20

Hello Dean, Thanks for this interpretation; it makes sense. I was (am still) quite surprised by the intense of Al(III) pre-edge feature as we did not detect anything else in our XRD work, except some Fe oxides (the product is X-ray amorphous most likely). Hello Mike, Thanks. We diluted this sample already to bring P concentration below 5000 mg/kg. We can potentially try further diluting, but when we go below that, sometimes we have a hard time getting a reasonable P spectrum in environmental samples. Best regards, Ganga -------------------- Ganga M. Hettiarachchi, Ph.D. Professor of Soil and Environmental Chemistry Department of Agronomy 2107 Throckmorton Plant Sciences Center 1712 Claflin Road Kansas State University Manhattan, KS 66506 USA 785-532-7209 (office) 785-532-6094 (FAX) http://www.agronomy.k-state.edu/research/soil-and-environment/soil-environm… http://www.agronomy.k-state.edu/people/faculty/hettiarachchi-ganga/index.ht… -----Original Message----- From: Ifeffit [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of ifeffit-request(a)millenia.cars.aps.anl.gov Sent: Friday, October 16, 2020 4:53 AM To: ifeffit(a)millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 212, Issue 7 Send Ifeffit mailing list submissions to ifeffit(a)millenia.cars.aps.anl.gov To subscribe or unsubscribe via the World Wide Web, visit http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit or, via email, send a message with subject or body 'help' to ifeffit-request(a)millenia.cars.aps.anl.gov You can reach the person managing the list at ifeffit-owner(a)millenia.cars.aps.anl.gov When replying, please edit your Subject line so it is more specific than "Re: Contents of Ifeffit digest..." Today's Topics: 1. Re: P K-edge XANES spectrum question (Dean Hesterberg) 2. Re: P K-edge XANES spectrum question (Mike Massey) ---------------------------------------------------------------------- Message: 1 Date: Fri, 16 Oct 2020 05:21:58 -0400 From: Dean Hesterberg <dean_hesterberg(a)ncsu.edu> To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> Subject: Re: [Ifeffit] P K-edge XANES spectrum question Message-ID: <CANEgao_RuxGJ7khkrwypyqu4FM333aw3iozgtPJHuZP6Sx9KSA(a)mail.gmail.com> Content-Type: text/plain; charset="utf-8" Hello Ganga, That is a very interesting spectrum. Given what you said about the system, the lower energy feature at ~ 2146 eV should be Fe(III)-bonded phosphate and the feature at ~2149 eV should be Al(III)-bonded phosphate. Both produce pre-white line absorption peaks, but the Al-bonded phosphate peak is closer to the white line and less distinct in spectra of Al-phosphates like variscite and non-crystalline Al-phosphate, for example (see Khare et al. 2007. *Geochimica et Cosmochimica Acta* 71:4405, Fig. 5C). A significant proportion of the phosphate in your system apparently precipitated with Al-13 polymer structures in the aluminum chlorohydrate. Dean On Fri, Oct 16, 2020 at 1:26 AM Ganga Hettiarachchi <ganga(a)ksu.edu> wrote: > All, > > Can anyone provide some insight into the pre-edge ?features? in this P > XANES spectrum? > > This is the P XANES spectrum we got for a recovered P-product (rich in > Fe and Al) from wastewater using the AnMBR technology. During the > coagulation process, our collaborators (environmental engineers) used > stock solutions of aluminum chlorohydrate (ACH) and FeCl3. > > > > Thanks very much. > > > > Best regards, > > > > Ganga > > > > -------------------- > > > > Ganga M. Hettiarachchi, Ph.D. > > Professor of Soil and Environmental Chemistry > > Department of Agronomy > > 2107 Throckmorton Plant Sciences Center > > 1712 Claflin Road > > Kansas State University > > Manhattan, KS 66506 USA > > > > 785-532-7209 (office) > > 785-532-6094 (FAX) > > > > > http://www.agronomy.k-state.edu/research/soil-and-environment/soil-env > ironment-chem/ > > > http://www.agronomy.k-state.edu/people/faculty/hettiarachchi-ganga/ind > ex.html > > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit > -- DEAN HESTERBERG William Neal Reynolds Distinguished Professor of Soil Chemistry Dept. of Crop and Soil Sciences NC State University email: dean_hesterberg(a)ncsu.edu

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Re: [Ifeffit] P K-edge XANES spectrum question (Mangold, Stefan (IPS))
by Ganga Hettiarachchi 16 Oct '20

16 Oct '20

Stefan, Thanks for sharing your thoughts. Please share if you do have spectra for any other P (i.e., not +5). Best regards, Ganga -------------------- Ganga M. Hettiarachchi, Ph.D. Professor of Soil and Environmental Chemistry Department of Agronomy 2107 Throckmorton Plant Sciences Center 1712 Claflin Road Kansas State University Manhattan, KS 66506 USA 785-532-7209 (office) 785-532-6094 (FAX) http://www.agronomy.k-state.edu/research/soil-and-environment/soil-environm… http://www.agronomy.k-state.edu/people/faculty/hettiarachchi-ganga/index.ht…

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P K-edge XANES spectrum question
by Ganga Hettiarachchi 16 Oct '20

16 Oct '20

All, Can anyone provide some insight into the pre-edge "features" in this P XANES spectrum? This is the P XANES spectrum we got for a recovered P-product (rich in Fe and Al) from wastewater using the AnMBR technology. During the coagulation process, our collaborators (environmental engineers) used stock solutions of aluminum chlorohydrate (ACH) and FeCl3. Thanks very much. Best regards, Ganga -------------------- Ganga M. Hettiarachchi, Ph.D. Professor of Soil and Environmental Chemistry Department of Agronomy 2107 Throckmorton Plant Sciences Center 1712 Claflin Road Kansas State University Manhattan, KS 66506 USA 785-532-7209 (office) 785-532-6094 (FAX) http://www.agronomy.k-state.edu/research/soil-and-environment/soil-environm… http://www.agronomy.k-state.edu/people/faculty/hettiarachchi-ganga/index.ht…

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Postdoctoral Position(s) at SSRL - DOE BOTTLE Project.
by Ritimukta Sarangi 15 Oct '20

15 Oct '20

Hello XAFS Community, On behalf of the BOTTLE team at SLAC, I would like to bring three post-doctoral fellowship openings to your attention. Please visit: https://careers.slac.stanford.edu/jobs-slac/ra-and-postdocs The three positions with "Postdoc BOTTLE" in their names are the relevant postings. I am also including a pdf version of the position I have available in this email for easy reference. We look forward to hearing from interested candidates to join our team! Thank you, Riti Sarangi

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EXAFS, Spectroscopy and Imaging Summer School Youtube Page
by Ritimukta Sarangi 13 Oct '20

13 Oct '20

Hello EXAFS enthusiasts, We have uploaded our 2020 summer school material on the Youtube Channel : https://www.youtube.com/channel/UC3sd8ZqQkNfDK11jM8cOWzw/videos You may find useful material for your synchrotron XANES/EXAFS/Imaging research. You can subscribe and share the page with colleagues as an educational resource. In the future (TBD), we plan to include recorded videos on advanced spectroscopy techniques including soft and hard X-ray RIXS and XES methods. If there are SSRL related material that you would like us to prepare, please let us know and we can put it on the list. Thank you for your time. Best regards, Riti Sarangi SSRL.

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