Crystallography Open Database

Information card for entry 1008201

Preview

Coordinates	1008201.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Titanium oxide (6/11)
Formula	O11 Ti6
Calculated formula	O11 Ti6
SMILES	[Ti+3].[Ti+3].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
Title of publication	Structural Chemistry of Magneli Phases Ti~n~O~2n-1~ (4<=n<=9). III.Valence Ordering of Titanium in Ti~6~ O~11~ at 130K
Authors of publication	le Page, Y; Strobel, P
Journal of publication	Journal of Solid State Chemistry
Year of publication	1983
Journal volume	47
Pages of publication	6 - 15
a	7.517 ± 0.001 Å
b	11.986 ± 0.002 Å
c	13.397 ± 0.002 Å
α	98.29 ± 0.01°
β	105.52 ± 0.01°
γ	107.79 ± 0.01°
Cell volume	1073.3 Å³
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.052
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.	1008201.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1008201.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1008201.cif
1063	2010-03-31	cif/ Fixing all author names that had '=' instead of ' ' (space sign): grep '^[0-9]' author-names-with-=.lst\| awk '{print "../"substr($1,0,1)"/"$1".cif"}'\| xargs -i sh -xc " perl -i -pe 's/=/ /g if /_publ_author_name/.../^_/' {}" and restoring journal names manualy afterwards.	1008201.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.	1008201.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/'	1008201.cif
14	2008-01-13	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1008201.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.	1008201.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)	1008201.cif