Re: [sdpd] Re: Peak missing!

[Radovan Cerny <Radovan.Cerny...@cryst.unige.ch>]

And what is the tetragonal space group which gives good intensity?

Radovan

higorfav a écrit :
> 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
>>
> 
> 
> 
> 
> ------------------------------------
> 
> 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...@cryst.unige.ch
URL    : http://www.unige.ch/sciences/crystal/cerny/rcerny.htm

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