[Cod-bugs] Error in COD entry 2310734

Stefan Enghardt Stefan.Enghardt at tu-dresden.de
Thu Nov 9 12:39:47 EET 2023


Hello,

while working with diffraction data of zircon I discovered the following 
database entry:
http://www.crystallography.net/cod/2310734.html

The correct formula for that entry is not Zircon but (NH4)2ZrF6 - the 
"chemical name" is correct. Maybe modifying line 28 of the CIF from
     _chemical_formula_sum            Zr
to
     _chemical_formula_sum            'F6 H8 N2 Zr'
fixes the issue?

Similar structures (different spacegroup, might be an error in the 
original publication of 2310734):
http://www.crystallography.net/cod/1535664.html
http://www.crystallography.net/cod/2020750.html

I hope this mail address is the correct place for these issues. Please 
advice if this is wrong.

Kind regards,
Stefan
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