Dear Rietvelders,
We are trying to refine the structure of InFeO3(ZnO) compound using GSAS.
The compound crystallises in R-3m space group and Zn and Fe occupy the same
position (00 0.2171). This result is obtained from single crystal studies
of isostructural Ga analogue. When we try to refine
If you don’t
refine the anisotropic displacement parameters, this ”splitting” of Fe/Zn
position
may merely compensate the luck of anisotropic displacements in the model.
***
Leonid A. Solovyov
Institute of Chemistry and Chemical Technology
