Crystallography Open Database

Information card for entry 1000280

Preview

Coordinates	1000280.cif
External links	AMCSD

Structure parameters

Chemical name	Lanthanum oxide sulfide (2/2/2)
Formula	La2 O2 S2
Calculated formula	La2 O2 S2
SMILES	[La+3].[La+3].[S-][S-].[O-2].[O-2]
Title of publication	Room temperature structure of La~2~O~2~S~2~
Authors of publication	Ostorero, J; Leblanc, M
Journal of publication	Acta Crystallographica C (39,1983-)
Year of publication	1990
Journal volume	46
Pages of publication	1376 - 1378
a	13.215 ± 0.002 Å
b	5.943 ± 0.001 Å
c	5.938 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	466.4 Å³
Number of distinct elements	3
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.017
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287588 (current)	2023-11-14	cod/ (saulius@tasmanijos-velnias) Adding AMCSD links for those COD files that match exactly after corrections of symmetry information.	1000280.cif
287558	2023-11-12	cod/ (saulius@tasmanijos-velnias) Re-estimating space group symbols for those COD entries that have different space group symbols compared to the new AMCSD collection. IN most cases just the space group designators changed, but a few cases will have to be checked by hand. Command: tail -n +3 outputs/amcsd-cod-spacegroup-updates.tsv \| awk '{print $4}' \| xargs -i bash -c 'F=$(codid2file {}); echo === {} ===; cif_filter --add-cif-header $F --estimate-spacegroup $F \| sponge $F'	1000280.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1000280.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1000280.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	1000280.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	1000280.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1000280.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	1000280.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	1000280.cif