Crystallography Open Database

Information card for entry 1100054

Preview

Coordinates	1100054.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Chemical name	Barium Titanium Boron Oxide (1/1/2/6)
Formula	B2 Ba O6 Ti
Calculated formula	B2 Ba O6 Ti
Title of publication	A structural study of BaTi(BO~3~)~2~
Authors of publication	Zhang, S; Wu, X; Chen, X; He, M; Cao, Y; Song,Y; Ni,D
Journal of publication	Materials Research Bulletin
Year of publication	2003
Journal volume	38
Pages of publication	783 - 788
a	5.0205 ± 0.0002 Å
b	5.0205 ± 0.0002 Å
c	16.3844 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	357.641 ± 0.001 Å³
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.09
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
198385 (current)	2017-07-04	cif/1/10/00/ (antanas@echidna.ibt.lt) Adding the '_space_group_symop_id' data item in entry 1100054.	1100054.cif
198376	2017-07-04	cif/1/10/00/ (antanas@echidna.ibt.lt) Changing the space group from '-P 3' to '-R 3' after consulting the orginal publication. All related space group information was changed accordingly.	1100054.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.	1100054.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1100054.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1100054.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.	1100054.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.	1100054.cif
900	2009-11-21	cif/ Renaming data blocks of all COD CIFs so that they have COD number (taken from the COD file name) as their datablock number: find ? -name \.cif \ \| xargs \ perl \ -MFile::Basename \ -i \ -lpe 's/^data_([^\s])/"data_".basename($ARGV, ".cif")/e' After this change, 'cif2cod' will give correct keys in the generated table. Also, data block names are guaranteed to be distinct, so any subset of COD CIFs can be concatenated into one file without introducing ambiguity.	1100054.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	1100054.cif
20	2008-01-26	Removing white space at the end of all lines from all COD CIF files: in the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\s+\n$/\n/'	1100054.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/'	1100054.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1100054.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.	1100054.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)	1100054.cif