Crystallography Open Database

Information card for entry 9016059

Preview

Coordinates	9016059.cif
External links	AMCSD

Structure parameters

Mineral name	Goethite
Formula	Fe O2
Calculated formula	Fe O2
SMILES	[O-2].[O-2].[O-2].[Fe+3].[Fe+3]
Title of publication	Etude de quelques derives de l'oxyde ferrique (Fe O . O H, Fe O2 Na, Fe O Cl) determination de leurs structures.
Authors of publication	Goldsztaub, M.
Journal of publication	Bulletin de la Societe Francaise de Mineralogie
Year of publication	1935
Journal volume	58
Pages of publication	6 - 76
a	4.64 Å
b	10 Å
c	3.03 Å
α	90°
β	90°
γ	90°
Cell volume	140.592 Å³
Number of distinct elements	2
Space group number	62
Hermann-Mauguin space group symbol	P b n m
Hall space group symbol	-P 2c 2ab
Duplicate of	1011087
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292100 (current)	2024-05-29	Inserting Z values into entries of range 9 that miss it	9016059.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.	9016059.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	9016059.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.	9016059.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016059.cif