I'd dealt with the problem of anisotropic broadening in my dissertation
problem and with attempting to work with the data, using the Rietveld
method. I was using a Scintag system to obtain the data for my
dissertation, too, by the way - great instrument, wonderful resolution.
GSAS has provisions to deal with the problem. Also, some of the other
software available can be 'tricked' into doing the job, by playing with the
form of the broadening function. This isn't . Third, I made some slight
modifications to R.A. Young's DBWS, which were successful. I'm not sure,
but Koalariet might also be a possible candidate for use. I've not used
the program but once - so I can't say for sure.
Cheers,
Linda
At 04:08 PM 9/27/1999 +0200, you wrote:
>Frank wrote,
>>......
>>Now the big question? What do I do with data with this good
>>resolution? I know there are differences, but is there software to do
>>something with it? For instance, I have a pattern with clearly
>>resolved, indexed peaks from about 13-33 degrees 2-theta which have
>>varying breadths. The variations of of the order of 0.04-0.10 degrees
>>2-theta. Over the years I have looked at patterns from this material
>>which appear to vary as a function of preparation (which causes
>>differences in particle shape--by SEM). Any suggestions?
>>
>>I have tried Rietveld refinement on the pattern(s) (structure is known),
>>but the program I'm using doesn't allow me to accommodate the different
>>peak breadths. Any hope for Rietveld?
>
>If the anisotropic broadening is due to crystallite and/or microstrain
>and/or planar faulting there are Rietveld programs that allows anisotropic
>broadening. The first work on that was again due to Armel Le Bail (anything
>seem to go around him) (French congress, I didn't have the reference on my
>desk now), but actually there are more options availables.
>Maud is one of these Rietveld program (use the Popa model for anisotropic
>broadening and also planar defect from Warren models). I should remark the
>goodness of the Popa model (J. Appl. Cryst. (1998). 31, 176-180).
>But probably you should got a reply also from Bergmann that bgmn will do
>anything.
>I think also GSAS should have something because I remember Von Dreele
>presenting something on anysotropic broadening two years ago. May be others
>program are availables too.
>
> Best regards,
> Luca Lutterotti
>
>
>
>-----------------------Luca Lutterotti----------------------------
> Dipartimento di Ingegneria dei Materiali, Universita' di Trento,
> via Mesiano 77, 38050 Trento, Italy
>
> e-mail address : [EMAIL PROTECTED]
> Home page : http://www.ing.unitn.it/~luttero
> Mirror: http://www.ccp14.ac.uk/ccp/web-mirrors/lutterotti/~luttero/
>
> Phone number :+39-0461-88-2414
>-Fax : +39-0461-88-1977-----------------------------------------
>
>
>
>
Linda D. Mansker 2118 Central Ave. S.E.
EMAIL: [EMAIL PROTECTED] Albuquerque, NM 87106
[EMAIL PROTECTED] WORK: (505) 272-7608
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