Crystallography Open Database

Information card for entry 9014692

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Structure parameters

Formula	F9 Fe3 O
Calculated formula	F9 Fe3 O
Title of publication	Hexagonal Tungsten Bronze-Type Fe(III) Fluoride: (H2O)0.33FeF3; Crystal Structure, Magnetic Properties, Dehydration to a New Form of Iron Trifluoride _cod_database_code 1000187
Authors of publication	Leblanc, M.; Ferey, G.; Chevalier, P.; Calage, Y.; de Pape, R.
Journal of publication	Journal of Solid State Chemistry
Year of publication	1983
Journal volume	47
Pages of publication	53 - 58
a	7.423 Å
b	12.73 Å
c	7.526 Å
α	90°
β	90°
γ	90°
Cell volume	711.168 Å³
Number of distinct elements	3
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Duplicate of	1000187
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	9014692.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.	9014692.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	9014692.cif
176465	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9014692.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9014692.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9014692.cif