Crystallography Open Database

Information card for entry 1010678

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Coordinates	1010678.cif

Structure parameters

Chemical name	Magnesium sulfate(IV) hexahydrate
Formula	H12 Mg O9 S
SMILES	[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)([O-])[O-]
Title of publication	Crystallography of magnesium-sulphite, cobalt-sulphite and nickel- sulphite
Authors of publication	Klasens, H A; Perdok, W G; Terpstra, P
Journal of publication	Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
Year of publication	1936
Journal volume	94
Pages of publication	1 - 6
a	8.82 Å
b	8.82 Å
c	8.82 Å
α	96.33°
β	96.33°
γ	96.33°
Cell volume	672.6 Å³
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :R
Hall space group symbol	P 3*
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1010678.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1010678.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1010678.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	1010678.cif
904	2009-11-23	cif/ Adding a loop with _atom_site_label and _atom_site_fract_{x,y,z} tags, adn with "?" as their values, to all COD CIFs that lacked atomic coodrinates: find ? -name \*.cif \ \| xargs -n1 -iX \ bash -c 'if [ $(cif_filter X \| wc -l) -eq 0 ]; \ then \ echo -e "loop_\n_atom_site_label\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n? \ ? ? ?" >> X; \ ( set -x; vcif -l 2048 X ); \ fi' This "cosmetic" change makes it easier to process COD CIFs with scripts that pick only datablocks with atomic coordinates for processing (such as cif_fitler).	1010678.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	1010678.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1010678.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	1010678.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	1010678.cif