Crystallography Open Database

Information card for entry 4110691

Preview

Coordinates	4110691.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	Cu9.87 Mn4 O8 S10 Sr8
Calculated formula	Cu9.872 Mn4 O8 S10 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	4.0177 ± 0.0001 Å
b	4.0177 ± 0.0001 Å
c	40.0019 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	645.71 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0223
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0451
Weighted residual factors for all reflections included in the refinement	0.0463
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178877 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/06.	4110691.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110691.cif
59508	2012-06-12	cif/ Adding structures of 4110691 via cif-deposit CGI script.	4110691.cif