[Cod-bugs] Silicon Disulfide

[Antanas Vaitkus]

Dear Robert,

On Tue, 28 Jan 2025 at 12:29, Robert McMeeking - STFC UKRI <
robert.mcmeeking at stfc.ac.uk> wrote:

> Good Morning,
>
>
>
> There looks to be a problem with COD entry 9016170. The compound name, as
> in the article title, is “Siliciumdisulfid”. But the formula is given as
> SiS4. There is also the COD entry 1010272 from the same paper assigned the
> formula SiS2.
>

These two entries describe the same structure, but the space group
information
in entry 9016170 is most likely incorrect (for more information, see
https://projects.ibt.lt/repositories/issues/1603). The entry in question
originated
in the AMCSD database and was later synced to the COD so we are waiting
for their comments before modifying the entry.


> Perhaps only the second one should be retained?
>

While these entries are duplicates in the purest sense (same compound, same
structure,
same publication), the general policy of the COD is to not remove entries
once a COD ID
has been assigned (they might have been referenced in publications, etc.).
Instead of that,
we mark duplicate structures using the '_cod_duplicate_entry' data name.
For example, in
this case entry 9016170 contains a line "_cod_duplicate_entry
1010272" which
indicates that entry 9016170 should be excluded from calculations in favour
of entry 101027.

For more information on duplicate entries in the COD, please see
https://wiki.crystallography.net/duplicate_entry/.

Please let us know if you have any further questions.

Sincerely,
Antanas
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-- 
Antanas Vaitkus,
Vilnius University,
Life Sciences Center,
Institute of Biotechnology,
room C521, Saulėtekio al. 7,
LT-10257 Vilnius, Lithuania

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