A relatively-less-experienced Topas user her. Running a keyword search unfortunately didn't given any results, so I had to start this not knowing if this has been discussed already.
I want to add planar defects to my refinement of transition aluminas (cationic-sublattice defective spinel and lower symmetries) but I unfortunately don’t know how it’s implemented in Topas (V7). More specifically, I need to use antiphase boundaries (ABP) and twinning of domains.
I’m using the right model for my gamma-alumina and by fitting the Al occupancy I get a fit which is not very bad given the quality of the data, but I need to consider ABP in the refinement because visually hkl-dependent ABP effect is present.
Are planar defects treated explicitly in Topas? If yes, how?
I’m already using ‘LVol_FWHM_CS_G_L’ for CS and ‘e0_from_Strain’ for strain which also randomly swings between the extremes inversely if both are refined simultaneously.
So, I have site occupancy, CS and strain. Is there anything I’m missing if I’m dealing with something which potentially has planar defects?
Thank you in advance for your help!