Hello,
I am importing a CIF file to the iRaspa program, but for some reason the space group is not imported with it. According to Mercury software, the spacegroup should be C2/c, monoclinic; however, I cannot find it in the list of spacegroups under 'symmetry properties'.
Is there a way to get iRaspa to read the spacegroup directly from the CIF file? or perhaps a simple method to manually select the correct spacegroup?
Thanks!
For space groups, see http://cci.lbl.gov/sginfo/hall_symbols.html (http://cci.lbl.gov/sginfo/hall_symbols.html).
Hermann-Mauguin are not unique, the Hall symbol is.
C2/c is space group 15. You have the following flavors:
15:b1 C 1 2/c 1 -C 2yc
15:b2 A 1 2/n 1 -A 2yac
15:b3 I 1 2/a 1 -I 2ya
15:-b1 A 1 2/a 1 -A 2ya
15:-b2 C 1 2/n 1 -C 2ybc
15:-b3 I 1 2/c 1 -I 2yc
15:c1 A 1 1 2/a -A 2a
15:c2 B 1 1 2/n -B 2bc
15:c3 I 1 1 2/b -I 2b
15:-c1 B 1 1 2/b -B 2b
15:-c2 A 1 1 2/n -A 2ac
15:-c3 I 1 1 2/a -I 2a
15:a1 B 2/b 1 1 -B 2xb
15:a2 C 2/n 1 1 -C 2xbc
15:a3 I 2/c 1 1 -I 2xc
15:-a1 C 2/c 1 1 -C 2xc <-----
15:-a2 B 2/n 1 1 -B 2xbc
15:-a3 I 2/b 1 1 -I 2xb