[GSAS-II] Requesting guidance on reading a CIF file via GSAS-II

[Rawat, Abhishek]

Dear Concerned person,
Hope this email finds you well.

I am using GSAS-II to refine my XRD data. I have an unusual composition which has copper atoms in a +3 oxidation state. GSAS gives an error message when uploading the CIF because of the Cu +3 state. Is there any solution to this issue?
The composition is AgCuO2; copper has been reported in the +3 state by the researchers and in the submitted PXRD database files. How to sort this issue? Your guidance would be much appreciated.


Thanks and regards
Abhishek Rawat
Graduate Teaching Assistant
Chemistry and Biochemistry- UTA
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20241003/e1dbc8bb/attachment.html>