if I remember well, Fd-3m and 5.43Å.
BTW, don't trust the flat plate sample distributed with your Philips
goniometer, it is terribly grainy (you can see it with the naked eye)
and you will never get a reasonable Rietveld fit with it!
miguel
On 2 Feb 2005 at 15:40, [EMAIL PROTECTED] wrote:
Hi Stephen,
make sure that you use the second (centrosymmetric) setting in space
group F d -3 m (no.227),
i.e. Si at Wyckoff position 8a and coordinates: 1/8 1/8 1/8 in
the Rietveld refinement.
If you use the first setting and the 8a coordinates: 0 0 0 as
coordinates the program will run
Does anyone know any way of extracting Rf values from a GSAS powder data
refinement? I can't find any mention of it in the manual.
Thanks,
jools
Run program rfactor. You get the choice of computing on F**2 or F.
Brian
Does anyone know any way of extracting Rf values from a GSAS powder data
refinement? I can't find any mention of it in the manual.
Jools,
GSAS gives R(F^2)in the .LST file for each powder histogram assuming the
Fo extraction flag is on (default). Generally R(F) = 0.5* R(F^2).
Bob Von Dreele
R.B. Von Dreele
IPNS Division
Argonne National Laboratory
Argonne, IL 60439-4814
-Original Message-
From: Jools
Dear all,
Thank you very much for your information.
I think the one I am using is Si[111]. It was used for checking the linearity
of the diffractometer.
I just curious to see some rietveld refinement can be practised myself.
I got R-factor (R(F2)) ca. 15% and the simulated PXRD from Si
