Dear Armel Another pretty straightforward case, leading to the following monoclinic P2(1) (or P2(1)/m) cell. The solution was found from the raw data by several programs (ITO12, KOHL, DICVOL, TREOR [non-equiv?] within Crysfire, as shown in the attached summary file, etc. Self-calibration gave conflicting signals, but Celref showed that there was a 2Theta zero correction (to be added) of -0.026 +- 0.007 degrees. However, this was described significantly better by a specimen displacement correction e/R (as defined by Celref) of -0.0410 +- 0.0045. The resulting refined cell with esd's is: a 15.6161 (0.0063) b 10.0867 (0.0036) c 11.7967 (0.0047) beta 106.220 (4) Refining vs a fixed 2Theta zero correction gave higher esd's and significantly different cell parameters and volume. Robin ------------------------ Yahoo! Groups Sponsor ---------------------~--> Buy Ink Cartridges or Refill Kits for your HP, Epson, Canon or Lexmark Printer at MyInks.com. Free s/h on orders $50 or more to the US & Canada. http://www.c1tracking.com/l.asp?cid=5511 http://us.click.yahoo.com/mOAaAA/3exGAA/qnsNAA/UIYolB/TM ---------------------------------------------------------------------~-> Your use of Yahoo! Groups is subject to http://docs.yahoo.com/info/terms/