Crystallography Open Database

Information card for entry 4000612

Preview

Coordinates	4000612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba7 Se13 Sn3
Calculated formula	Ba7 Se13 Sn3
SMILES	[Ba+2].[Se-][Sn]([Se-])([Se-])[Se-].[Ba+2].[Se-][Sn]([Se-])([Se-])[Se-].[Ba+2].[Ba+2].[Se-2].[Ba+2].[Se-][Sn]([Se-])([Se-])[Se-].[Ba+2].[Ba+2]
Journal of publication	Chemistry of Materials
Year of publication	2005
a	12.7484 ± 0.0014 Å
b	24.891 ± 0.003 Å
c	9.2115 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2923 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4000612.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4000612.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4000612.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.	4000612.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/'	4000612.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4000612.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.	4000612.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)	4000612.cif