Crystallography Open Database

Information card for entry 9015177

Preview

Coordinates	9015177.cif
External links	AMCSD

Structure parameters

Formula	Ba F5.5 Nb O1.5
Calculated formula	Ba F5.4999 Nb O1.5001
Title of publication	BaNbF7-x(OH)x: preparation and crystal structure _cod_database_code 1000342
Authors of publication	Crosnier-Lopez M; Duroy, H.; Fourquet, J.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1993
Journal volume	30
Pages of publication	549 - 556
a	9.9259 Å
b	9.9259 Å
c	9.9259 Å
α	90°
β	90°
γ	90°
Cell volume	977.934 Å³
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Duplicate of	1000342
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	9015177.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.	9015177.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	9015177.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.	9015177.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9015177.cif