Thanks to every one.
It was not so difficult in fact .
Best whishes, François
Le 19/02/2019 à 11:02, François Goutenoire a écrit :
Dear Rietveld users,
One more question ! I am unable to find the way to constraint
occupancy factor for mixed sites in Topas in GUI mode.
Sorry for this basic
Hi François
You need to use codewords and equations.
In the sites section of the structure, give the occupancy of one element a
name (eg al_occ), and then for the other atom on the same site, give it an
equation in the codes tab (eg =1-al_occ;)
You would then put min/max limits on the first atom
Igor Djerdj schrieb:
The following question is addressed more to FULLPROF users. I want to
refine atomic occupancies of Fe-doped TiO2 for instance. Assuming that
Ti is substituted with Fe at some sites, how can I provide that the
sum of occupancies of Fe and Ti is 1 or 100%?
There are two op
Can you set up equations in FullProf?
Refine the occupancy of Ti and set occ(Fe) = 1 - occ(Ti).
Cheers
Matthew
Matthew Rowles
CSIRO Minerals
Box 312
Clayton South, Victoria
AUSTRALIA 3169
Ph: +61 3 9545 8892
Fax: +61 3 9562 8919 (site)
Email: [EMAIL PROTECTED]
Igor,
Back when I used to do this a lot, the easiest way was to just start the
occupancy of the two sites at 1 (e.g., 95% + 5%) then give one site a
given variable and the second the opposite sign for the same variable
(e.g., 20.5 and -20.5). I've been out of the XRD game for a few years,
so
[EMAIL PROTECTED] schrieb:
I am using FULLPROF 2006 for the analysis of my system. I am having one
problem in defining the constraint. Actually I have 4 cations in my system
and want to put a constraint as w+x+y+z=1. Is it possible to define such
constraints using FULLPROF.
In principle i
[mailto:[EMAIL PROTECTED]
Sent: Sun 25/02/2007 1:03 AM
To: rietveld_l@ill.fr
Subject: Re: Occupancy Constraint...
Dear Geetika
This will not answer your question, buy maybe allows you change it.
As has been discussed several times in the Rietveld list, the only way
to refine the occupancy of x cat
Dear Geetika
This will not answer your question, buy maybe allows you change it.
As has been discussed several times in the Rietveld list, the only way
to refine the occupancy of x cations in certain site is to have x or
more independent determinations of the scattering power of that site.
In y
