[GSAS-II] Guidance on Phase Quantification Using GSAS-II for Crystallized Multi-Component Amorphous Oxides

[Angshuman Gupta]

Dear All,

I am currently working on the crystallization behavior of multi-component
amorphous oxides, where the formation of various complex nanocrystals has
been observed upon heat treatment. Based on TEM-EDS analysis, it appears
that these crystals are likely solid solutions containing multiple
elements. The corresponding XRD patterns can be indexed using standard
structure types available in the ICSD database.

I am aiming to quantify the phase fractions using GSAS-II software. In this
context, I would appreciate some guidance on the following:

   -

   Should I use the standard ICSD CIF files directly for the refinement, or
   is it necessary to modify the CIFs to reflect the compositions obtained
   from TEM-EDS?
   -

   In preliminary refinements, I have noticed intensity mismatches,
   particularly for acicular-shaped crystals. Could this be related to
   preferred orientation effects or other microstructural factors?

Any insights or suggestions on how to approach this would be greatly
appreciated.

Thank you and best regards
Angshuman Gupta
Research scholar
Metallurgical Engineering and Materials Science Department
Indian Institute of Technology Bombay.
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