Hi everyone, I am trying to do a first shell fit of ReO2 – where there are 2 different Re-O distances in the first coordination shell. Does anyone have an .atoms file or structural information for this material that they would be willing to share ? Thank you very much for your help. -Edward Kunkes Research Assistant Department of Chemical Engineering University of Wisconsin-Madison
google helps you ;) http://www.crystallography.net/ a direct to ReO2 oxide http://www.crystallography.net/cif/9/9009092.cif?CODSESSION=v2MdMFKIyrKT wVnjq-bY3VaJxvf download cif file and open it with artemis have fun darek
-----Original Message----- From: ifeffit-bounces@millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of Edward L. Kunkes Sent: Wednesday, December 10, 2008 4:23 PM To: ifeffit@millenia.cars.aps.anl.gov Subject: [Ifeffit] fitting ReO2
Hi everyone,
I am trying to do a first shell fit of ReO2 - where there are 2 different Re-O distances in the first coordination shell. Does anyone have an .atoms file or structural information for this material that they would be willing to share ?
Thank you very much for your help.
-Edward Kunkes
Research Assistant Department of Chemical Engineering University of Wisconsin-Madison
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Hi Edward, The structural information for ReO2 is from Acta Chem Scand 1957, 11, 28-33. Space Group: Pbcn, a=4.8094, b=5.6433, c=4.6007 Re: (0,0.110,1/4) Special position c O: (0.25, 0.36, 0.125) General position Re-Re = 2.61 Re-4O = 1.95 Re-2O = 2.11 Good ole Structure Reports. Sincerely, Wayne Edward L. Kunkes wrote:
Hi everyone,
I am trying to do a first shell fit of ReO2 – where there are 2 different Re-O distances in the first coordination shell. Does anyone have an .atoms file or structural information for this material that they would be willing to share ?
Thank you very much for your help.
-Edward Kunkes
Research Assistant Department of Chemical Engineering University of Wisconsin-Madison
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Hello all, I am going to the APS on Wednesday and I will be doing EXAFS at MRCAT line ID-10 on Ge, Sb, and Te based samples. Unfortunately at that line, we don't have Te reference foil. Can anyone familiar with the APS help me to track down and borrow a Te reference? Sincerely, -- Joseph Washington Research Assistant Department of Physics North Carolina State University 431 Riddick Hall Raleigh, NC 27695-8202 email: jswashin@ncsu.edu
On Monday 15 December 2008 05:51:46 pm Joseph Washington wrote:
Hello all, I am going to the APS on Wednesday and I will be doing EXAFS at MRCAT line ID-10 on Ge, Sb, and Te based samples. Unfortunately at that line, we don't have Te reference foil. Can anyone familiar with the APS help me to track down and borrow a Te reference?
Joseph, A quick peak at the Goodfellow website is rather pricey. It's also rather toxic. Those two things might limit your options. Don't you have a powdered sample of something simple, say GeTe? While it's always nice to have the pure metal, the most important thing is that you have a good alignment reference. B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
participants (5)
-
Bruce Ravel -
Edward L. Kunkes -
Joseph Washington -
Wayne Lukens -
Zajac, Dariusz