[Wien] SPACE GROUP DOES NOT CONTAIN INVERSION

Víctor Luaña Cabal victor at fluor.quimica.uniovi.es
Sat Dec 31 17:27:40 CET 2016


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
--
    .  .    "De la cuna a la tumba es una escuela, por eso lo que llamas
   / `' \    problemas son lecciones."
  /(o)(o)\   (From the cradle to the grave life is a school so, what you
 /`. \/ .'\  call trouble are lessons)
/   '`'`   \ -- Facundo Cabral, Cuna
|  \'`'`/  | "When are we ready to learn something? Motivation is the
|  |'`'`|  | is the most important step in education."
 \/`'`'`'\/  -- adapted from Adam Steltzner, 2016 (ElPaís)
==(((==)))===0===============================+===========================
! Dr.Víctor Luaña, in silico chemist & prof. !
! Departamento de Química Física y Analítica !
! Universidad de Oviedo, 33006-Oviedo, Spain !
! e-mail:  <victor at fluor.quimica.uniovi.es>  !
! phone: +34-985-103491  fax: +34-985-103125 !
+--------------------------------------------+
 GroupPage: <http://azufre.quimica.uniovi.es/>
 Articles:  <http://scholar.google.com/citations?user=Ibl1BWAAAAAJ&hl=es>
 git-hub:   <https://github.com/aoterodelaroza>
 ORCID: 0000-0003-4585-4627; RID: H-2045-2015


More information about the Wien mailing list