Crystallography Open Database

Information card for entry 9014316

Preview

Coordinates	9014316.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Formula	Mg O9 S
Calculated formula	H12 Mg O9 S
Title of publication	Deformation density in magnesium sulfite hexahydrate
Authors of publication	Bats, J. W.; Fuess, H.; Elerman, Y.
Journal of publication	Acta Crystallographica, Section B
Year of publication	1986
Journal volume	42
Journal issue	6
Pages of publication	552 - 557
a	5.911 Å
b	5.911 Å
c	5.911 Å
α	96.25°
β	96.25°
γ	96.25°
Cell volume	202.553 Å³
Number of distinct elements	3
Space group number	146
Hermann-Mauguin space group symbol	R 3 :R
Hall space group symbol	P 3*
Duplicate of	1100083
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	9014316.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.	9014316.cif
188423	2016-11-14	cif/9/01 Updating bibliography for multiple entries in range 9/01.	9014316.cif
188372	2016-11-10	cif/9 Marking attached hydrogen atoms.	9014316.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	9014316.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.	9014316.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9014316.cif