[Ifeffit] Ifeffit Digest, Vol 134, Issue 20

Ditty Dixon ditty.dixon at gmail.com
Wed Apr 30 07:17:55 CDT 2014


 Hello IFEFFIT users,

Sorry, I used the wrong values I should have set the delta r value,

Sorry again,

Ditty


On Wed, Apr 30, 2014 at 2:05 PM,
<ifeffit-request at millenia.cars.aps.anl.gov>wrote:

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>    1. Possible bug in fitting (Ditty Dixon)
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> ----------------------------------------------------------------------
>
> Message: 1
> Date: Wed, 30 Apr 2014 14:05:40 +0200
> From: Ditty Dixon <ditty.dixon at gmail.com>
> To: ifeffit at millenia.cars.aps.anl.gov
> Subject: [Ifeffit] Possible bug in fitting
> Message-ID:
>         <
> CABPBYUdrOG_atNjT9ef454J_ZhLXPmnTin8KXcNvi1ZVTCxOHg at mail.gmail.com>
> Content-Type: text/plain; charset="utf-8"
>
>  Hello IFEFFIT users,
>
>
>
> I am working on LiNi0.5Mn1.5O4 cathode materials, I am pretty sure that
> some of you already worked on it. On the first look, a multiple edge
> analysis on both Ni and Mn is interesting; however it?s not that straight
> forward due to multiple phase and oxidation states. I started doing
> multiple edge fit, but I gave up briefly. Then I did individual edge
> analysis and obtained some values. Looking at both edges my Ni fit looks
> good. So I thought of taking the Ni-Mn bond distance as well as DW factor
> value to Mn edge and set this value for my Mn-Ni paths. However it seems
> like this value is further evaluated in the fit and giving a new value. Can
> someone reproduce this, please see the project file and the Log file
> attached, Is it a possible bug or am I doing something wrong?
>
>
>
> Thank you,
>
>
> Ditty
>
> --
> Ditty Dixon,
> Anorganische Chemie
> Karlsruhe Institute of Technology
> Kaiserstr 12
> Karlsruhe, Germany
> Ph no:  004972160848093
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> End of Ifeffit Digest, Vol 134, Issue 20
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-- 
Ditty Dixon,
Anorganische Chemie
Karlsruhe Institute of Technology
Kaiserstr 12
Karlsruhe, Germany
Ph no:  004972160848093
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