Atul,
Your space group and cell are rather inconsistent, maybe if you fixed them
it would help. If it is really trigonal, it could be merohedrally twinned,
I think that REFMAC can now handle that automatically.
George
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of
On Thu, Jun 17, 2010 at 04:14:04PM +0200, George M. Sheldrick wrote:
Your space group and cell are rather inconsistent
Nicely put ;-)
P3221 == a==b , c , 90 90 120
160.78 157.32 135.62 90.0 90.0 90.0 == looks a bit like
tetragonal, e.g. like
