[Wien] SPACE GROUP DOES NOT CONTAIN INVERSION

[Víctor Luaña Cabal]

On Sat, Dec 31, 2016 at 08:36:56PM +0530, Dr. K. C. Bhamu wrote:
> Thank you Dr. Delamora
> 
> The parent compound is AB2 type with space group 194.
> 

Bhamu,

Using just that information and the Bilbao crystallographic server
(http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list)

Wyckoff Positions of Group 194 (P63/mmc):
There are positions of multiplicity 2, 4, 6, 12, and 24.

The 2/4, 6/12, and 12/24 are coherent with your specifications, and
there are several ways to select each.

Best regards and have joy and success in 2017,
                                              Víctor Luaña
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! Dr.Víctor Luaña, in silico chemist & prof. !
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