[Wien] A problem with symmetry

Osama Yassin oyassin63 at gmail.com
Wed Oct 15 23:25:22 CEST 2014


Dear all

In trying to generate the structure file of Sr2MnTiO6 in the space group
I4/m (No 87), the Sr and the O positions do not split. The message
"Splitting of equivalent positions not available.
To split you must select a lattice type"

I suspect some is corrupted because it was working well with Wien2k 13 and
14.

How do I recover this problem.

Best wishes

O A Yassin
============

The structure panel looks as shown below

*Lattice:*
Spacegroup: 87_I4/m_


Splitting of equivalent positions not available.
To split you must select a lattice typeSpacegroups from
Bilbao Cryst Server
<http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list> *Lattice
parameters *in
       a= b= c=
       α= β= γ=

*Inequivalent Atoms: 5*
*Atom 1*:  Z= RMT=
       Pos 1: x= y= z=

*Atom 2*:  Z= RMT=
       Pos 1: x= y= z=

*Atom 3*:  Z= RMT=
       Pos 1: x= y= z=

*Atom 4*:  Z= RMT=
       Pos 1: x= y= z=

*Atom 5*:  Z= RMT=
       Pos 1: x= y= z=

Number of symmetry operations: generate

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