Crystallography Open Database

Information card for entry 9014876

Preview

Coordinates	9014876.cif
External links	AMCSD

Structure parameters

Formula	Ba Fe12
Calculated formula	Ba Fe12
SMILES	[Ba].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
Title of publication	Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe2 O3)6 _cod_database_code 1009038
Authors of publication	Bertaut, F.; Deschamps, A.; Pauthenet, R.
Journal of publication	Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
Year of publication	1958
Journal volume	246
Pages of publication	2594 - 2597
a	5.889 Å
b	5.889 Å
c	23.18199 Å
α	90°
β	90°
γ	120°
Cell volume	696.249 Å³
Number of distinct elements	2
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Duplicate of	1009038
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292002 (current)	2024-05-23	Inserting missing Z values into entries of range 9	9014876.cif
201816	2017-10-06	cod/ Enhancement: marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop.	9014876.cif
184280	2016-07-07	cif/9/ Marking 756 entries in range 9* as duplicates of other entries in the COD. All entries, containing '_cod_database_code' in their titles, were copied to a separate MySQL table 'duplicates' for comparison of the rest of their titles against the "original" entries. Formulae, both given by authors and calculated, were not compared, since duplicate entries in range 9* do not contain Z values. Command to compare and mark the duplicates: mysql -u root duplicates9 -p -e 'select A.file, B.file from data as A join duplicates as B on A.file = B.duplicateof and replace(replace(replace(A.title, "~", ""), " ", ""), "$-", "") = replace(B.title, " ", "") where A.duplicateof is null' -N \ \| while read -a LINE; \ do \ cat $(cod-locate ${LINE[1]}) <(echo _cod_duplicate_entry ${LINE[0]}) \ \| cif_filter -h $(cod-locate ${LINE[1]}) \ \| sponge $(cod-locate ${LINE[1]}); \ done	9014876.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9014876.cif