Crystallography Open Database

Information card for entry 4110689

Preview

Coordinates	4110689.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	Cu10.41 Mn2 O4 S8 Sr4
Calculated formula	Cu10.408 Mn2 O4 S8 Sr4
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	4.0057 ± 0.0002 Å
b	4.0057 ± 0.0002 Å
c	28.296 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	454.03 ± 0.04 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	0.0291
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.0578
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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.	4110689.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110689.cif
59506	2012-06-12	cif/ Adding structures of 4110689 via cif-deposit CGI script.	4110689.cif