[Wien] Rhombohedral to hexagonal problem

Shu Miao shu at its.caltech.edu
Thu Oct 21 02:24:40 CEST 2004


Hello all,
My sample has rhombohedral structure (#166_R-3m). Using StructGen, I set
a=b=2.816A, c=14.049A, alpha=beta=90, and gamma=120. These are lattice
parameters in the hexagonal setting. However, after running x sgroup, the
parameters change to a=b=5.32147, c=26.54877, while the angles are same. I
cannon figure out how these numbers come out. Who can help? Thanks

Shu




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