[Cod-bugs] Aluminum Chloride Structure

[Saulius Gražulis]

Dear Andrius, dear Robert!

thanks for taking care about this entry and for finding the coordinates!

On 2017-10-18 08:53, Andrius Merkys wrote:
> entry 1010563 seems to be of a structure from 1930 article
> (http://onlinelibrary.wiley.com/doi/10.1002/zaac.19301930123/abstract),
> whose coordinates had not yet been added to the CIF file. There are not
> many of such structures in the COD, but they are marked as not having
> coordinates (bottom of the table 'Structure parameters' in
> http://crystallography.net/cod/1010563.html reads "Has coordinates:
> No"). Therefore, such entries are exceptions, but are normal.
> 
> I have just added the coordinates from the original publication to
> 1010563. Please check whether they seem reasonable.

The coordinates seem reasonable but the space group is definitely not P1
-- there are gaps in Al layers, and the structure clearly has at least a
3-fold axis (see attached screen-shots).

Robert, please do not use the COD entry 1010563 untill we fix the space
group (hopefully we do that today).

Regards,
Saulius

-- 
Dr. Saulius Gražulis
Vilnius University Institute of Biotechnology, Saulėtekio al. 7
LT-10257 Vilnius, Lietuva (Lithuania)
fax: (+370-5)-2234367 / phone (office): (+370-5)-2234353
mobile: (+370-684)-49802, (+370-614)-36366
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