I would like to learn the technique to index cations and anions of inorganic compounds from the CIF file obtained from single XRD characterization.
Kindly suggest the method for this.
Thank you...
Daniel Lundberg
Dear Abhay,
I must admit I do not fully understand your question.
The cations and anions in a .cif-file are not different in any respect compared to the cations and anions in the chemical formula (and extends to any neutral portions of the formula, naturally). That said, there is a possibility of having partial occupancy of different cations and anions in the same position, but all are still cations or anions (or, once in a while neutral units as in a non determined hydroxide ion/water molecule).
regards,
Daniel
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