Crystallography Open Database

Information card for entry 9016261

Preview

Coordinates	9016261.cif
External links	AMCSD

Structure parameters

Formula	Cs I
Calculated formula	Cs I
SMILES	[Cs+].[I-]
Title of publication	Die Kristallstruktur der Alkaliperrhenate und -periodate _cod_database_code 1010428
Authors of publication	Beintema, J.
Journal of publication	Zeitschrift fur Kristallographie
Year of publication	1937
Journal volume	97
Pages of publication	300 - 322
a	5.838 Å
b	6.014 Å
c	14.364 Å
α	90°
β	90°
γ	90°
Cell volume	504.316 Å³
Number of distinct elements	2
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Duplicate of	1010428
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	9016261.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.	9016261.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	9016261.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016261.cif