[Wien] diff. between triclinic and hexagonal

[Michael Frotscher]

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Dear Christian,

> nn and sgroup reduce my symmetry to P1 and triclinic, even though my unit
> cell is of the type a,a,c and gamma=120? These lattice settings are not
> changed by sgroup and nn. So I end up with a "triclinic" unit cell, with
> hexagonal lattice parameters? Is this a Wien convention issue?

Do the Atoms generated by StructGen agree with the wyckoff-sites of your cell? 
I had it once that I used a wrong choice of origin which caused StructGen to 
generate wrong positions which in turn blew the symmetry.

Sincerely, 
- -- 
Michael Frotscher
Institute of Inorganic and Applied Chemistry
University of Hamburg, Germany 
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