[Wien] Hi
Mathrubutham Rajagopalan
mraja1948 at gmail.com
Tue Dec 3 08:30:33 CET 2013
Dear Developers and users,
I am interested in studying a compound LaMgTl.
I have taken the lattice parameter and positions from this paper
Ternary Thallides REMgTl (RE = Y, La – Nd, Sm, Gd – Tm, Lu)
Rainer Kraft and Rainer P¨ottgen
Institut f¨ur Anorganische und Analytische Chemie, Westf¨alische
Wilhelms-Universit¨at M¨unster,
Corrensstraße 36, D-48149 M¨unster, Germany
Reprint requests to R. P¨ottgen. E-mail: pottgen at uni-muenster.de
Z. Naturforsch. 60b, 265 – 270 (2005); received October 4, 2004
I generated the structure file . I am able to run nn, and sgroup
While running symmetry i get a error as 2 missing
In the structure file Tl atoms are removed.
I used the positions as follows
Atom Position
La 0.4237 0 0
Mg 0.755 0 0.5
Tl 0.6666 0.33333 0.5
Tl1 0. 0. 0.
I will be thankful if I get some help
I am using the recent version of WIEN
Regards and greetings
Rajagopalan
--
* Dr M.RajagopalanEmeritus Scientist (CSIR)Crystal Growth Center
20 6th Main RoadAnna Univer sity
ChromepetChennai 600 025 Chennai 600 044Phone #
22213023 (R) 22359208 (O)Mobile 9445125709*
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