Crystallography Open Database

Information card for entry 2106877

Preview

Coordinates	2106877.cif
External links	AMCSD

Structure parameters

Mineral name	Oxygen
Formula	O2
Calculated formula	O2
SMILES	O=O
Title of publication	Structure of 'Orange' 18O2 at 9.6 GPa and 297 K
Authors of publication	Schiferl, D.; Cromer, D.T.; Schwalbe, L.A.; Mills, R.L.
Journal of publication	Acta Crystallographica B (39,1983-)
Year of publication	1983
Journal volume	39
Pages of publication	153 - 157
a	4.2151 Å
b	2.9567 Å
c	6.6897 Å
α	90°
β	90°
γ	90°
Cell volume	83.372 Å³
Number of distinct elements	1
Space group number	69
Hermann-Mauguin space group symbol	F m m m
Hall space group symbol	-F 2 2
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282068 (current)	2023-03-26	cod/ (saulius@tasmanijos-velnias) Adding the '_cod_related_entry_...' loop to those COD AMCSD entries that lacked it, and adding the related AMCSD database ID to this loop.	2106877.cif
282053	2023-03-24	cod/ (saulius@tasmanijos-velnias) Updating the existing COD records from the recent AMCSD downloads: - Adding AMCSD IDs to those COD records that exacly matched the AMCSD structures (comparing unit cells, space groups, coordinates and measurement conditions) but did not yet have the AMCSD ID; - Adding new mineral names, compound sources, measurement conditions (when those were missing) and other informations from the AMCSD CIFs.	2106877.cif
211196	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	2106877.cif
161390	2015-10-09	cif/ Adding structures of 2106877 via cif-deposit CGI script.	2106877.cif