Dear All,
Firstly, I am sorry if similar questions were already in the list.
I have started to learn magnetic structure refinement with Rietveld
method. I learned how to perform this refinement by GSAS with following
YBaFe3O8 tutorial. And I am now trying to refine this by Fullprof.
However, I can not obtain same result. The main problem is all Bragg
positions from magnetic phase are slightly shifted to higher angle,
compared with nuclear one. Still far away to learn magnetic structure
representation with adopting irreducible representation analysis. Would
someone please tell me possible reasons why this mismatch happen? I put
following constrains. Are there any other parameters, which cause such
peak shift to higher angle?
The constrain of lattice parameters of the nuclear and magnetic
structures to be exactly twice are set as
Nuclear phase: a b c 90 90 90
21.00 31.00 41.00 0 0 0
Magnetic phase: 2a 2b 2c 90 90 90
20.25 30.25 40.25 0 0 0
Profile function: the value of profile coefficients and their codes are
exactly same between both phases
Propagation vector: k = (1/2,1/2,1/2)
Thank you in advance.
With regards,
Hiroshi
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