Crystallography Open Database

Information card for entry 1001431

Preview

Coordinates	1001431.cif
External links	AMCSD

Structure parameters

Chemical name	Yttrium barium copper oxide (1/2/3/6.04)
Formula	Ba2 Cu3 O6.04 Y
Calculated formula	Ba2 Cu3 O6.04 Y
Title of publication	Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
Authors of publication	Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E
Journal of publication	American Chemical Society: Symposium Series
Year of publication	1987
Journal volume	351
Pages of publication	152 - 163
a	3.8519 ± 0.0001 Å
b	3.8519 ± 0.0001 Å
c	11.8037 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	175.1 Å³
Number of distinct elements	4
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.039
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.	1001431.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1001431.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.	1001431.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/'	1001431.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1001431.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.	1001431.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)	1001431.cif