Crystallography Open Database

Information card for entry 9016463

Preview

Coordinates	9016463.cif
External links	AMCSD

Structure parameters

Formula	Ba7 F26.701 Fe6 O7.299
Calculated formula	Ba7 F26.7008 Fe6 O7.2992
Title of publication	Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new defective jarlite-type compound _cod_database_code 1000374
Authors of publication	Crosnier-Lopez M; Calage, Y.; Duroy, H.; Fourquet, J.
Journal of publication	Zeitschrift fur Anorganische und Allgemeine Chemie
Year of publication	1995
Journal volume	621
Pages of publication	1025 - 1032
a	17.036 Å
b	11.489 Å
c	7.62 Å
α	90°
β	101.48°
γ	90°
Cell volume	1461.6 Å³
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Duplicate of	1000374
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	9016463.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.	9016463.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	9016463.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.	9016463.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016463.cif