Crystallography Open Database

Information card for entry 1010965

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Coordinates	1010965.cif

Structure parameters

Chemical name	Potassium trialuminium hexahydroxide bis(sulfate)
Mineral name	Alunite
Formula	Al3 H6 K O14 S2
Title of publication	Ueber Sulfate und Phosphate mit aehnlichem Kristallgitter
Authors of publication	Gossner, B
Journal of publication	Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
Year of publication	1937
Journal volume	96
Pages of publication	488 - 492
a	7.05 Å
b	7.05 Å
c	7.05 Å
α	59.03°
β	59.03°
γ	59.03°
Cell volume	242.3 Å³
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :R
Hall space group symbol	-P 3* 2
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278158 (current)	2022-09-25	cod/ Reformatted the summary chemical formuale using the 'cif_filter' program.	1010965.cif
176729	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.	1010965.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1010965.cif
77586	2013-03-28	cod/cif/ (saulius@koala.ibt.lt) Merging mineral data updates (_chemical_name_mineral, _chemical_name_common, structural formulae) sent to me by T.D. in his e-mail. The merge was done by the command: for i in split/*.cif do ( B=$(basename $i); C=$(echo $B\|awk '{print "/home/saulius/struct/cod/cif/"substr($0,1,1)"/"substr($0,2,2)"/"substr($0,4,2)"/"$0}'); ( set -x; cif_merge --over \ _chemical_name_mineral,_chemical_name_structure_type,_chemical_name_common,_chemical_name_systematic,_chemical_formula_structural,_chemical_formula_sum \ $C $i ) \ \| cif_filter --add-cif-header $C \ \| sponge $C ) done in the working copy of the following repository: URL: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction/contributions Repository Root: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction Repository UUID: 9acf3947-1f02-0410-ae2a-984b57ad209b Revision: 2625 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 2625 Last Changed Date: 2013-03-28 15:13:00 +0200 (Thu, 28 Mar 2013)	1010965.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1010965.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.	1010965.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).	1010965.cif
720	2009-05-13	cod/cif/: Adding loop_ token in front of the _publ_author_name tag in all COD entries where _publ_author_name was not in a loop (this tag is loop-mandatory).	1010965.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/'	1010965.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1010965.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.	1010965.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)	1010965.cif