It seems I may have answered my own question. A space seems to be needed
between the 4 and the 2. This seems to work. OK?
Nichole Wonderling
Penn State University
Materials Research Institute
159 Materials Research Laboratory
University Park, PA. 16802
814-863-1369
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?
It seems I may have answered my own question. A space seems to be needed between the
4 and
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
shouldas following: "P 42/n m c".
Note
that S is not part of the space group symboland is probably ignored by
Alan Hewat wrote:
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?
It seems I may have answered my own question. A space seems to be
Thank you Peter and Allen. I see that this indeed does make a
difference. Can you tell me how I check the space group to ensure
that it is correct? As I am not a crystallographer, and have very
limited experience with space group terminology, is there a good resource
to confirm that I have
