Crystallography Open Database

Information card for entry 1508408

Preview

Coordinates	1508408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Lu2 S4
Calculated formula	Ba Lu2 S4
Title of publication	Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure
Authors of publication	Schurz, Christian M.; Schleid, Thomas
Journal of publication	Crystals
Year of publication	2012
Journal volume	1
Journal issue	3
Pages of publication	78 - 86
a	12.1143 ± 0.0008 Å
b	3.9556 ± 0.0003 Å
c	14.2781 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	684.2 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.186
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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.	1508408.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508408.cif
69128	2012-12-03	cif/ Updating files of 1508408 Original log message: mistake in journal volume	1508408.cif
69006	2012-11-29	cif/ Adding structures of 1508408 via cif-deposit CGI script.	1508408.cif