Dear
Nichole,
Space
between 4 and 2 does not make any sense and results in P 4/m m m
symmetry.
BUT
for sure spaces surrounding "/" should be removed and space groups symbol
should as following: "P 42/n m c".
Note
that S is not part of the space group symbol and is probably ignored by
GSAS (is it?). Any way both ways (w/ and w/o S) give the same results which
corresponds P42/nmc group with the centre of symmetry in the
origin.
Dr. Peter Y. Zavalij
University Crystallographer
Institute for Materials Research
and Chemistry Department
Binghamton University, SUNY, Vestal Pkwy, East
Binghamton, NY 13902-6000, USA
Tel: (607)777-4298 Fax: (607)777-4623
E-mail:[EMAIL PROTECTED]
http://materials.binghamton.edu/zavalij
University Crystallographer
Institute for Materials Research
and Chemistry Department
Binghamton University, SUNY, Vestal Pkwy, East
Binghamton, NY 13902-6000, USA
Tel: (607)777-4298 Fax: (607)777-4623
E-mail:[EMAIL PROTECTED]
http://materials.binghamton.edu/zavalij
-----Original Message-----
From: Nichole Wonderling [mailto:[EMAIL PROTECTED]
Sent: Wednesday, March 17, 2004 10:50 AM
To: Rietveld List
Subject: Rietveld question - EXPGUI
From: Nichole Wonderling [mailto:[EMAIL PROTECTED]
Sent: Wednesday, March 17, 2004 10:50 AM
To: Rietveld List
Subject: Rietveld question - EXPGUI
I'm trying to do some refinement on Zr-Y-O powders. I keep getting an error for the space group P 42 / n m c S when I try to import the *.cif file for ICSD 90885 into EXPGUI. Can someone tell me why?
Nichole
