Hai,
I am trying to calculate irreducible representation of point group 3m (C3v) for NBT (having R3c space group - 161)
I got 4A1 + 9E = 4*1 + 9*2 = Total 22 Raman peaks (where A is single degenerated and E is double generated modes).
But, in literature, it is mentioned that there are 13 Raman active modes for NBT.
Could you please give some clarification in this regards ?
Thanks in advance.
Dear Kumar,
You can contact, Prof.V.R.K. Murthy from Physics Department, IIT Madras, or V. Subramanyam or Muragavel. Or else...G. Kumar from Osmania University (He is the right person to answer to your question. Wishing you good luck. Also read some review papers on this.
Dear Venkata Ramana Mudinepalli,
Thank you very much for your suggestion.
Dear Santosh,
the E bands are degenerate, hence there will be only a single band. So 7A + 6E is correct, summing up to 13 Raman active bands.
See, eg. https://iopscience.iop.org/article/10.1088/0953-8984/12/14/305/pdf
Best regards, Michael
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