I'm doing Rietveld's refinement for ZnO: Al (AZO) thin films. With the refinement completed, I want to generate the .cif file, which represents my refined structure. I am using GSAS II.
Converting structure files can be done with babel, you can check out whether the gsas format is in the list:
https://openbabel.org/wiki/Babel
On the GSAS-II project window, the Export menu has
Phase as - Quick CIF
and
Powder data as - Data only CIF
If you want to combine those, you should be able to figure it out using a text editor.
I am also searching same for Carbon nanotube tube. you try fullproof. and plot it on mercury software for getting CIF file . it may be helpful.
I have difficulties in building the chart. If someone could provide a method step by step. It would help me a lot!Thank U.
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