Crystallography Open Database

Information card for entry 9014792

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Structure parameters

Formula	F5 Fe H4 N2
Calculated formula	F5 Fe H4 N2
Title of publication	Structural and spectroscopic evidence for hydrogen bonding induced (N H4)(+) cation ordering in beta-(N H4)2 Fe F5 at low temperature _cod_database_code 1000446
Authors of publication	Croguennec, L.; Deniard, P.; Brec, R.; Couzi, M.; Sourisseau, C.; Fourquet, J.; Calage, Y.
Journal of publication	Journal of Solid State Chemistry
Year of publication	1997
Journal volume	131
Pages of publication	189 - 197
a	6.3269 Å
b	7.6076 Å
c	10.9802 Å
α	90°
β	90°
γ	90°
Cell volume	528.505 Å³
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Duplicate of	1000446
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	9014792.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.	9014792.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	9014792.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.	9014792.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9014792.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9014792.cif