Crystallography Open Database

Information card for entry 2310054

Preview

Coordinates	2310054.cif
Original IUCr paper	HTML

Structure parameters

Formula	Ba0.72 Ca0.279 Nb2 O6
Title of publication	Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28)
Authors of publication	Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred
Journal of publication	Acta Crystallographica Section B
Year of publication	2012
Journal volume	68
Journal issue	2
Pages of publication	101 - 106
a	12.4529 ± 0.0004 Å
b	12.4529 ± 0.0004 Å
c	7.9242 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1228.84 ± 0.11 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	X4bm
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.0414
Goodness-of-fit parameter for all reflections included in the refinement	1.65
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	2310030
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2310054.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	2310054.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2310054.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.	2310054.cif
82146	2013-04-26	cif/2/31/ (saulius@koala.ibt.lt) Commiting modulated structures published in IUCr journals in 2011-2012.	2310054.cif