[sdpd] Re: Peak missing!

["higorfav" <higorfav...@yahoo.com.br>]

I'll try to be more clear.
The space group is Pm-3m.
When I start to refine with this space group all peaks but one in
teorical difractogram comes out. The reflection 111 is the problem,
the theorical peak "doesn't grow" it's intensity remains in the
background nor the experimental intensity. But loocking into the phase
position, it matchs with all experimental peaks.
In Summry, despite the phase matchs with all experimental peaks, the
program couldn't make a fitting of the reflection 111. All peaks have
the intensity in accord with the experimental but the intensity of the
peak (reflection 111) remains in the background.
Is that something that I could do or I have to assume that the sy
I hope that I was a lithe clear tham before. 

Thanks in avance







--- In sdpd...@yahoogroups.com, Radovan Cerny <Radovan.Cerny...@...> wrote:
>
> What is the space group?
> 
> best
> 
> Radovan
> 
> 
> 
> 
> higorfav a écrit :
> > Dear all,
> > I tried to refine a spectra that teorically should be cubic, but whem
> > I started the refinement just one peak (111) is missing on teorical
> > fitting, but the phase matchs with the experimental peak.
> > Trying tetragonal symmetry, all peaks agree and refinement goes well.
> > I tried to change the origin of the system without result.
> > The question is:
> > Is there something to do in order to fit that missing peak or I have
> > to assume that the symmetry is tretagonal? Does anybody have some
ideas?
> > 
> > Thanks in avance.
> > Higor.
> > 
> > 
> > ------------------------------------
> > 
> > Yahoo! Groups Links
> > 
> > 
> > 
> 
> 
> -- 
> Radovan Cerny
> Laboratoire de Cristallographie
> 24, quai Ernest-Ansermet
> CH-1211 Geneva 4, Switzerland
> Phone  : [+[41] 22] 37 964 50, FAX : [+[41] 22] 37 961 08
> mailto : Radovan.Cerny...@...
> URL    : http://www.unige.ch/sciences/crystal/cerny/rcerny.htm
>



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