Re: [Ifeffit] report bugs

Hi Shengqi, I have had a similar problem. If you are using a .cif file from e.g. the ICSD, the syntax is sometimes varied. I find that usually re-exporting the .cif file using an external software (like Vesta or Crystalmaker) works well. Regards, Wei -Original Message- From: Ifeffit

Re: [Ifeffit] How to input atoms in solid solution for Artemis

Hi Fuxiang, On Thu, Jun 23, 2016 at 11:38 AM, Fuxiang Zhang wrote: > Hi, All, > I am new in using EXAFS techniques. Just wondering how to input atomic > structure of NiFe solid solution to Artemis. It has a simple Ni-structure, > but both Ni and Fe occupy the same site. If I

Re: [Ifeffit] How to input atoms in solid solution for Artemis

Hi, Matt and Anayoly, Thank you very much for the help. Fuxiang On Thu, Jun 23, 2016 at 1:51 PM, Anatoly I Frenkel wrote: > Whatever you decide to do, remember that Ni Ni and Ni Fe pairs look very > similar by EXAFS, so it does not matter how you end up doing it. > You can as

Re: [Ifeffit] How to input atoms in solid solution for Artemis

One additional thought: Distinguishing Ni-Ni and Ni-Fe by creating two different feff paths and fitting the spectrum as a mixture of the two is very difficult, to put it mildly, as both Anatoly and Matt indicated. But the bond length determined by your fit may be able to give you a clue,

Re: [Ifeffit] How to input atoms in solid solution for Artemis

Hi, Scott, In fact, I have a series of single crystal Ni-Fe alloys (Fm-3m) with known atomic ratio, and measured both Fe and Ni edges for samples and standards. I just want to see if there's any difference between the local bonding environment of Fe and Ni, such as R, N and sigma2. Now using the

Re: [Ifeffit] How to input atoms in solid solution for Artemis

You definitely will see the difference (sorry that I am replying instead of Scott who will not mind of course) because from Ni edge the result means an effective mixture of Ni-Ni and Ni-Fe bond lengths, and for edge - the effective mixture of Fe-Ni and Fe-Fe bonds. That's why you get different

Re: [Ifeffit] How to input atoms in solid solution for Artemis

Whatever you decide to do, remember that Ni Ni and Ni Fe pairs look very similar by EXAFS, so it does not matter how you end up doing it. You can as well use pure Ni but you may want to consider both fcc and bcc structure for making the model because the alloy may end up to be either that or

Re: [Ifeffit] Ifeffit Digest, Vol 160, Issue 17

ps.anl.gov/mailman/listinfo/ifeffit < > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit> > > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit < > http://millenia.cars.aps.anl.gov/mailman/options/ifeffit> > > > > > > __

Re: [Ifeffit] How to input atoms in solid solution for Artemis

Fuxiang, On Thu, Jun 23, 2016 at 4:47 PM, Fuxiang Zhang wrote: > Hi, Scott, > > In fact, I have a series of single crystal Ni-Fe alloys (Fm-3m) with known > atomic ratio, and measured both Fe and Ni edges for samples and standards. > I just want to see if there's any