[Ifeffit] Space group type in Artemis

Robert Gordon ragordon at alumni.sfu.ca
Sat Mar 11 10:21:58 CST 2017

B11b in an alternate form of space group #9 (Cc or C1c1)
Atoms does take Bb as the space group, but that could be Bb11
(which does not produce an error message) with unique x-axis instead
of the unique z-axis in B11b.

My suggestion: When I use a crystal structure in Atoms,
I prefer to check the Inorganic Crystal Structure Database (ICSD)
for a standard form of the structure (and a list of distances for 
That should net a structure in Cc format.

Useful reference for space groups:


On 3/11/2017 2:56 AM, Abhinav Prabhakar wrote:
> Hello,
> I have a question about the working of Artemis as a new user.
> Artemis does not recognize the space group B11b. When importing a cif 
> file of a crystal with this symmetry, it sends a prompt message that 
> the space group symbol cannot be recognized. As a result, I changed it 
> to P11b and it works. But would this change any crystal information 
> (for eg. Degen, Reff values) significantly?
> Thank you.
> Regards,
> Abhinav Prabhakar (Mr)
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