[Ifeffit] fitting ReO2
Wayne Lukens
wwlukens at lbl.gov
Wed Dec 10 09:53:43 CST 2008
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
>
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