Crystallography Open Database

Information card for entry 4000626

Preview

Coordinates	4000626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga0.25 La O2.37 Ti0.25
Calculated formula	Ga0.25 La O2.365 Ti0.25
Title of publication	Structural and electrical investigation of oxide ion and proton conducting titanium cuspidines
Authors of publication	Martín-Sedeño, M. C.; Marrero-López, D.; Losilla, E. R.; León-Reina, L.; Bruque, S.; Núñez, P.; Aranda, M. A. G.
Journal of publication	Chemistry of Materials
Year of publication	2005
Journal volume	17
Journal issue	24
Pages of publication	5989 - 5998
a	8.00474 ± 0.00033 Å
b	11.1123 ± 0.0005 Å
c	11.8456 ± 0.0008 Å
α	90°
β	109.788 ± 0.008°
γ	90°
Cell volume	991.46 ± 0.11 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
RFsqd	0.04019
Goodness-of-fit parameter for all reflections	1.48
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.88035 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277952 (current)	2022-09-18	cif/4/00/06/ Updated the values of several data items and added additional information in entries 4000624, 4000626 after consulting the original CIF files which were provided as supplementary material for the original publication.	4000626.cif
277950	2022-09-18	cif/ Added an explicit space group operation list and updated space group information in entries 4000624-4000626 after consulting the original CIF files which were provided as supplementary material for the original publication.	4000626.cif
277949	2022-09-18	cif/4/00/06/ Updated bibliographic information in entries 4000624-4000626.	4000626.cif
178377	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000626.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4000626.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4000626.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4000626.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4000626.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.	4000626.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.	4000626.cif
98	2008-02-07	15 CIFs fixed	4000626.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/'	4000626.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4000626.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.	4000626.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)	4000626.cif