Crystallography Open Database

Information card for entry 4001093

Preview

Coordinates	4001093.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barium strontium manganese copper oxide sulfide
Chemical name	Barium strontium manganese copper oxide sulfide
Formula	Ba2.64 Cu1.96 Mn4 O8 S2 Sr1.36
Calculated formula	Ba2.64 Cu1.956 Mn4 O8 S2 Sr1.36
Title of publication	Ba2Mn2O4Cu0.9S: A layered Oxysulfide with a New Perovskite-Related Manganese Oxide Fragment
Authors of publication	Hyett, Geoffrey; Gál, Zoltán A.; Smura, Catherine F.; Clarke, Simon J.
Journal of publication	Chemistry of Materials
Year of publication	2008
Journal volume	20
Journal issue	2
Pages of publication	559
a	3.9595 ± 0.0001 Å
b	3.9595 ± 0.0001 Å
c	19.2227 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	301.367 ± 0.012 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	6
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0214
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.26
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001093.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001093.cif
41843	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001093 via cif-deposit CGI script.	4001093.cif