Crystallography Open Database

Information card for entry 1517803

Preview

Coordinates	1517803.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	carbon dioxide
Chemical name	carbon dioxide
Formula	C O2
Calculated formula	C O2
Title of publication	Structure and compressibility of the high-pressure molecular phase II of carbon dioxide
Authors of publication	Datchi, Frédéric; Mallick, Bidyut; Salamat, Ashkan; Rousse, Gwenaëlle; Ninet, Sandra; Garbarino, Gaston; Bouvier, Pierre; Mezouar, Mohamed
Journal of publication	Physical Review B: Condensed Matter and Materials Physics
Year of publication	2014
Journal volume	89
Journal issue	14
Pages of publication	144101
a	3.5161 ± 0.0016 Å
b	3.5161 ± 0.0016 Å
c	4.1043 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	50.74 ± 0.04 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	2
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor R(I) for significantly intense reflections	1.921
Method of determination	powder diffraction
Diffraction radiation type	X-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209050 (current)	2018-07-16	cif/1/51/ Updating bibliography in entries 1512248, 1517802, 1517803.	1517803.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517803.cif
124097	2014-09-23	cif/ Adding structures of 1517803 via cif-deposit CGI script.	1517803.cif