Crystallography Open Database

Information card for entry 9014054

Preview

Coordinates	9014054.cif
External links	AMCSD

Structure parameters

Formula	Cl H26 N7 O19 P6
Calculated formula	Cl H30 N7 O19 P6
Title of publication	(NH4)6P6O18.NH4X.H2O (X=Cl,Br,I). The first examples of cyclohexaphosphate-halides _cod_database_code 1007201
Authors of publication	Averbuch-Pouchot M; Durif, A.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1993
Journal volume	30
Pages of publication	447 - 459
a	6.738 Å
b	10.101 Å
c	19.33 Å
α	101.48°
β	90.84°
γ	107.31°
Cell volume	1227.05 Å³
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Duplicate of	1007201
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	9014054.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.	9014054.cif
188357	2016-11-09	cif/9 Marking attached hydrogen atoms.	9014054.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	9014054.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.	9014054.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9014054.cif