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: <vic...@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 _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
