[Ifeffit] Fitting results

Shelly Kelly dr.sdkelly at gmail.com
Thu Jan 21 09:24:32 CST 2010


Hi Abhijeet,

I think that there is a problem with you structure for Cu2O.  Each Cu
atoms must be coordinated by more than just two O atoms in the first
shell.

Shelly

On Thu, Jan 21, 2010 at 1:28 AM, Abhijeet Gaur <abhijeetgaur9 at gmail.com> wrote:
> Hello Sir,
>                I had done fitting of a Cu2O data taken at SSRL EXAFS
> beamline in transmission mode, Stanford, by my research guide
>                Dr. B. D. Shrivastava.
>                I had used here the fiting procedure as discussed before in
> this mailing list. The fitted curves are coming   nice, but the
>               values of some fitting parameters are not reliable as shown
> bold below.
>   amp             =     0.4898160   +/-      0.0469990    (1.0000)
>   enot            =     7.6843630   +/-      0.4828620    (0.0000)
>   alpha           =     0.0022670   +/-      0.0030950    (0.0000)
>   ss011           =     0.0003280   +/-      0.0013130    (0.0030)
>   sscu11          =     0.0174780   +/-      0.0016220    (0.0030)
>   sscu11o11       =     0.0470530   +/-      0.0655560    (0.0030)
>   ss012           =     0.0070100   +/-      0.0044660    (0.0030)
>   sscu12          =     0.0186980   +/-      0.0093570    (0.0030)
>   ss013cu11       =     0.0088980   +/-      0.0190580    (0.0030)
>   sscu13          =     0.0196150   +/-      0.0062940    (0.0030)
>   sscu13012       =     0.0084870   +/-      0.0067030    (0.0030)
>   sscu11cu11      =     0.0071110   +/-      0.0132390    (0.0030)
>   sscu12cu11      =     0.0111440   +/-      0.0139470    (0.0030)
> Def parameters (using "FEFF0: Path 1: [O1_1]"):
>   delr            =     0.0041920
>
> So, if someone can please tell me that where I had done wrong or what should
> I do to make things right I will be very thankful.    The Artemis project
> file is attached herewith.
>
>            With regards
>             Abhijeet Gaur
>             Research Scholar
>             School of Studies in Physics
>             Vikram University, Ujjain (INDIA)
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