Crystallography Open Database

Information card for entry 4110690

Preview

Coordinates	4110690.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	Cu22.09 Mn4 O8 S16 Sr8
Calculated formula	Cu22.088 Mn4 O8 S16 Sr8
Title of publication	Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides
Authors of publication	Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	8530 - 8540
a	28.2144 ± 0.0015 Å
b	5.6837 ± 0.0003 Å
c	5.6898 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	912.43 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4110690.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110690.cif
59507	2012-06-12	cif/ Adding structures of 4110690 via cif-deposit CGI script.	4110690.cif