Crystallography Open Database

Information card for entry 1008485

Preview

Coordinates	1008485.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Barium yttrium copper oxide (2/1/3/7)
Formula	Ba2 Cu3 O7 Y
Calculated formula	Ba2 Cu3 O7 Y
Title of publication	Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction
Authors of publication	Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R
Journal of publication	Europhysics Letters
Year of publication	1987
Journal volume	3
Pages of publication	1301 - 1307
a	3.8141 ± 0.0001 Å
b	3.8812 ± 0.0002 Å
c	11.6395 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	172.3 Å³
Number of distinct elements	4
Space group number	47
Hermann-Mauguin space group symbol	P m m m
Hall space group symbol	-P 2 2
Residual factor for all reflections	0.08
Duplicate of	1001455
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.	1008485.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1008485.cif
112050	2014-04-29	cod/ (saulius@koala.ibt.lt) Marking 392 files as duplicates of the COD entries (with smaller COD IDs) that had identical title, cell constants and coordinates: mysql -u cod_reader cod -e ' select d1.file, d2.file from data as d1 join data as d2 on ( d1.title = d2.title or d1.title = substr(d2.title,1,length(d2.title)-1) or d2.title = substr(d1.title,1,length(d1.title)-1)) and d1.file < d2.file and d1.a = d2.a and d1.b = d2.b and d1.c = d2.c and d1.vol = d2.vol and (d1.calcformula = d2.calcformula or d1.calcformula is null or d2.calcformula is null) and d1.duplicateof is null and d2.duplicateof is null and d1.optimal is null and d2.optimal is null order by d1.file, d2.file' -NB \ \| xargs -i bash -c ' F1=$(echo {} \| awk "{print \$1}" \| codid2file); F2=$(echo {} \| awk "{print \$2}"\| codid2file); true echo === {} ===; if diff -q <(cif2ref $F1) <(cif2ref $F2) >& /dev/null; then CODID=$(echo {} \| awk "{print \$1}"); echo $CODID is the main entry for $F2; echo "_cod_duplicate_entry $CODID" >> $F2; fi' The localhost `cod` database's table `data` was loaded with the last night's COD `data` dump.	1008485.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1008485.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.	1008485.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/'	1008485.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1008485.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.	1008485.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)	1008485.cif