[GSAS-II] Refining Jahn-Teller Distortion in LaMnO₃ with GSAS-II

[Luiz Felipe Pompermaier]

Dear GSAS-II support team,
I am currently working with a manganite system with the formula LaMnO₃, space group R-3c (#167). In my PXRD pattern, I have identified two weak peaks at 2θ = 12.45° and 15.95°. I hypothesize that these peaks may be related to a well-known Jahn-Teller distortion of the oxygen atoms along the c-axis.
My questions are:

  1.  Is it possible to refine this type of Jahn-Teller distortion using GSAS-II?
  2.  If so, could you provide guidance on how to approach this refinement?
  3.  Alternatively, could I be mistaken about the origin of these peaks in the 2θ range of 10° to 20°?

I appreciate any insights or suggestions you may have.
Best regards,
Luiz Felipe Pompermaier

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