uqhhodge
Hi,
thank you in advance for your help.
in my sample i have compounds which exist in a solid solution between end members NaAlO2 and NaAlSiO4. the trick is that im not sure what the exact composition of this solid solution is. is there a way how can i then use this information in my .inp file so i can quantify the phases in my sample (there are several other phases besides this solid solution).
thank you,
Harrison
rowlesmr
Hi Harrison
Are the end members in the same space group? If so, it's as easy as refining an occupancy.
If not, you would have to put both structures into the same space group before refining occupancies of the sites in question.
Matthew
uqhhodge
Hi Matthew,
i dont think they are in the same space group. could you please explain about how to put them into the same space group and how to refine the occupancies?
cheers
rowlesmr
What are the end members? Do you have structures for them? Can you post them here (or email me?)
This may cost you a coauthorship!