[Wien] Abvout the space groups P63mmc (194) and P3m1 (156)

Osama Yassin oyassin63 at gmail.com
Fri Mar 18 18:28:51 CET 2016


​Dear Prof Blaha

I have a question related​ to the symmery of the lattice of GaS. It is
reoprted that GaS has a hexagonal crystal structure with space group P63mmc
(No. 194). Both the Ga and S atoms ocuupy the 4f site. However, the sgroup
of the Wien2k determines the structure to be in space group P3m1 (156).

I igonred the proposed structure but why it is not detecting the space
group P63mmc?.

Tha structure file is attached.

Best wishes

O A Yassin
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