[GSAS-II] Abscence of similar perovskite CIF

Luiz Felipe luizpompermaier at hotmail.com
Thu Feb 1 07:39:30 CST 2024


Hello to all,

I'm working with the perovskite of the form (La,Ce)(Mn,Co)O3 and recently have acquired the PXRD (with standard Cu Kα radiation) pattern for the LaMnO3, LaCoO3, CeCoO3 and CeMnO3, but when trying to refine the pattern and structure I find a problem that my database (ICSD) has CIF cards only for the LaMnO3 and LaCoO3.

So, my question is, can I get away with this by modifying the existent CIF cards to account for the Ce substitution or do I need a synchrotron data to resolve the structure?

Thankfully
Luiz Felipe Pompermaier
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