Dear All, One thing is sufferring me a lot. I don't have much idea about space groups. In case of giving positions of atoms in GSAS, so far I understand when I am giving the space group information, I should not have to give the positions of all the atoms. It is understood from the space group information.
For example: For fcc Nickel with space group 225, I have to only give the position of one atom (0,0,0).Not the (0.5,0.5,0.0) ... But I can't understand, if know the space group of a system, how can I decide what position and how many atom position I should insert in GSAS. I will be grateful, if anybody help me in this regard. Regards, Apu /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ Apu Sarkar Research Fellow Variable Energy Cyclotron Centre Kolkata 700 064 phone: 91-33-2337-1230 (extn. 3190) Fax: 91-33-2334-6871 INDIA /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/