Crystallography Open Database

Information card for entry 1200009

1200008 << 1200009 >> 1200010

Preview

Coordinates	1200009.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Calcium iron(III) aluminium oxide (2/1.5/0.5/5)
Mineral name	Brownmillerite
Formula	Al Ca2 Fe O5
Calculated formula	Al Ca2 Fe O5
Title of publication	The Crystal Structure of Brownmillerite, Ca2 Fe Al O5
Authors of publication	Colville, A A; Geller, S
Journal of publication	Acta Crystallographica B (24,1968-38,1982)
Year of publication	1971
Journal volume	27
Pages of publication	2311 - 2315
a	5.584 ± 0.005 Å
b	14.6 ± 0.01 Å
c	5.374 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	438.1 Å³
Number of distinct elements	4
Space group number	46
Hermann-Mauguin space group symbol	I b m 2
Hall space group symbol	I 2 -2b
Residual factor for all reflections	0.027
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1200009.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1200009.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)	1200009.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1200009.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.	1200009.cif
903	2009-11-23	cif/ Setting svn:keywords property on those CIFs that did not have them.	1200009.cif
30	2008-01-27	Adding the reprocessed files from my first COD deposition. Reprocessing with the new cif-tools scripts removed missing tags and added Acta Cryst. Coeditor codes into those files where the corresponding CIF tag was present. Not all reprocessed files were changed. Alsin two entries, cif/8/8000061.cif and cif/8/8000065.cif, were removed manually, both from the CIF file directory and from the cif2cod.txt file, since these two files were detected to be duplicates.	1200009.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1200009.cif
11	2008-01-11	Adding splitted COD CIFs that contained mupltiple structures and mupltiple entries in the COD database. Now each file contains exactely one structure; new files were created and assigned COD numbers as necessary. There still may be more CIF files that contain mupltiple structures but which were not reflected in the COD MySQL table 'data';	1200009.cif