Crystallography Open Database

Information card for entry 9015495

Preview

Coordinates	9015495.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Formula	Ba3 O26 P6
Calculated formula	Ba3 O26 P6
Title of publication	Crystal chemistry of cyclo-hexaphosphates. XIX. Structure of barium cyclo-hexaphosphate octahydrate _cod_database_code 1007199
Authors of publication	Rzaigui, M.; Averbuch-Pouchot M; Durif, A.
Journal of publication	Acta Crystallographica, Section C
Year of publication	1992
Journal volume	48
Pages of publication	241 - 243
a	20.98 Å
b	7.227 Å
c	17.44 Å
α	90°
β	119.56°
γ	90°
Cell volume	2300.11 Å³
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Duplicate of	1007199
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	9015495.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.	9015495.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	9015495.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.	9015495.cif
125874	2014-10-25	cod/ (saulius@kolibris) Adding DOIs to 358 Acta Cryst. C CIFs, found using ISSN, volume and first page.	9015495.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9015495.cif