[Cod-bugs] bugs feedback of cod

Xiaoyang Jiao nature123.jiaoxiaoyang at gmail.com
Mon Jul 16 09:20:02 EEST 2018

card No. 1010150
The space group P n -3 :1 is wrong, result in the O-C distance 138.5pm, but
according to the paper it is 1.05 A.
The record 1010060 is correct in space group P a -3.
Now we know, the O-C is double bond in carbon dioxide and the distances is
around 115-122pm. The distance 1.05 of this paper is too short.
The paper as follow:

card No. 1517802
Title of publication should be "Structure of Polymeric Carbon Dioxide
                            not "Structure of CO2-V at 40.8 GPa, 295 K"
In ICSD, the content of every item is  strict, serious and standard.  :)

card No. 1517803
Title of publication should be "Structure and compressibility of the
high-pressure molecular phase II of carbon dioxide",
                           not "Structure of CO2 phase II - P=25.8 GPa,
T=295 K"

card No. 1512248
Title of publication should be "Structure of Carbon Dioxide Phase IV:
Breakdown of the Intermediate Bonding State Scenario",
                           not "Structure of Carbon Dioxide Phase IV.
P=15.2 GPa, T=295 K"

card No. 1010134
According to the Fig. 3 of the paper, see attachment, the space group seems
not to be P 42 3 2.
And according to ICSD ( Coll. Code 24500 ), the space group is I -4 3 m.

Jiao Xiaoyang
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