Crystallography Open Database

Information card for entry 9015518

Preview

Coordinates	9015518.cif
External links	AMCSD

Structure parameters

Formula	Cl42 In7 K21 O7
Calculated formula	Cl42 In7 K21 O7
Title of publication	Evidence for ionic isomerism in complex salts. X-ray evidence in K3InCl6.H2O _cod_database_code 1004098
Authors of publication	Wignacourt, J.; Nowogrocki, G.; Mairesse, G.; Barbier, P.
Journal of publication	Reviews in Inorganic Chemistry
Year of publication	1980
Journal volume	2
Pages of publication	207 - 217
a	15.723 Å
b	15.723 Å
c	18.069 Å
α	90°
β	90°
γ	90°
Cell volume	4466.89 Å³
Number of distinct elements	4
Space group number	107
Hermann-Mauguin space group symbol	I 4 m m
Hall space group symbol	I 4 -2
Duplicate of	1004098
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	9015518.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.	9015518.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	9015518.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.	9015518.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9015518.cif