Maybe I am being dumb, but if you are looking at fourier difference map and
GSAS has found a D atom there then you would not expect to see any
intensity. You would expect to see a peak if looking at a fourier map, but
not a fourier difference map.
At 14:46 22/11/2007, you wrote:
On jeudi 22 novembre 2007, Telepeni Irvin wrote:
> Even when I put D where GSAS thinks it should be (and where I hope it
> should be as well), then it turns out that this site or those sites are
> hardly occupied (and they are those to be supposingly where the scattering
> is from).
What happens when you use D positions found by Fox ? What does the Fourier
difference map look like after you use these positions for refinement in
GSAS ?
--
Vincent Favre-Nicolin
Université Joseph Fourier
http://v.favrenicolin.free.fr
ObjCryst & Fox : http://objcryst.sourceforge.net
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Stephen Cairns
Postgraduate Student
WestChem
Department of Chemistry
A4-18a Joseph Black Building
University of Glasgow
Glasgow
G12 8QQ
0141 330 8273
[EMAIL PROTECTED]
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
