Crystallography Open Database

Information card for entry 9015719

Preview

Coordinates	9015719.cif
External links	AMCSD

Structure parameters

Formula	H28 I N7 O19 P6
Calculated formula	H30 I N7 O19 P6
Title of publication	(NH4)6P6O18.NH4X.H2O (X=Cl,Br,I). The first examples of cyclohexaphosphate-halides _cod_database_code 1007202
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	14.96 Å
b	24.819 Å
c	6.71 Å
α	90°
β	91.86°
γ	90°
Cell volume	2490.06 Å³
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Duplicate of	1007202
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	9015719.cif
211084	2018-09-20	cif/9/01/57/ Marking atom 'O19' as having two attached hydrogen atoms instead of atom 'H19' in entry 9015719.	9015719.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.	9015719.cif
188358	2016-11-09	cif/9 Marking attached hydrogen atoms.	9015719.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	9015719.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.	9015719.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9015719.cif