Crystallography Open Database

Information card for entry 1000059

Preview

Coordinates	1000059.cif
Original paper (by DOI)	HTML
External links	AMCSD; ChemSpider

Structure parameters

Chemical name	Aluminium oxide
Formula	Al2 O3
Calculated formula	Al2 O3
SMILES	[Al+3].[Al+3].[O-2].[O-2].[O-2]
Title of publication	Neutron diffraction measurements of the residual stresses in Al2 O3 - Zr O2 (Ce O2) ceramic composites
Authors of publication	Wang, X - L; Hubbard, C R; Alexander, K B; Becher, P F
Journal of publication	Journal of the American Ceramic Society
Year of publication	1994
Journal volume	77
Journal issue	6
Pages of publication	1569 - 1575
a	4.7554 ± 0.0003 Å
b	4.7554 ± 0.0003 Å
c	12.991 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	254.4 Å³
Number of distinct elements	2
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.07
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202026 (current)	2017-10-16	cif/ Marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop.	1000059.cif
201954	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1000059.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.	1000059.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1000059.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1000059.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.	1000059.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	1000059.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.	1000059.cif
20	2008-01-26	Removing white space at the end of all lines from all COD CIF files: in the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\s+\n$/\n/'	1000059.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1000059.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.	1000059.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';	1000059.cif
10	2008-01-04	BUG FIX: renaming all CIF files that had extension with all capital letters (.CIF) into files written in all lowercase (.cif). On Linux, where filenames are strictly cae-sensitive, the Web site engine would not find files that had .CIF extension (written in all caps).	1000059.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)	1000059.cif