Crystallography Open Database

Information card for entry 9016107

Preview

Coordinates	9016107.cif
External links	AMCSD

Structure parameters

Formula	Cl5 In K2 O
Calculated formula	Cl5 H2 In K2 O
Title of publication	Potassium pentachloroindate monohydrate, K2 (In Cl5, H2 O) _cod_database_code 1004034
Authors of publication	Wignacourt, J.; Mairesse, G.; Barbier, P.
Journal of publication	Crystal Structure Communications
Year of publication	1976
Journal volume	5
Pages of publication	293 - 296
a	13.905 Å
b	9.952 Å
c	7.185 Å
α	90°
β	90°
γ	90°
Cell volume	994.279 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	1004034
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	9016107.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.	9016107.cif
188357	2016-11-09	cif/9 Marking attached hydrogen atoms.	9016107.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	9016107.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.	9016107.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016107.cif