Crystallography Open Database

Information card for entry 4109897

Preview

Coordinates	4109897.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Strontium manganese copper oxide sulfide
Formula	Cu2 Mn2.94 O7.42 S2 Sr4
Calculated formula	Cu2 Mn2.936 O7.424 S2 Sr4
Title of publication	Topotactic Oxidative and Reductive Control of the Structures and Properties of Layered Manganese Oxychalcogenides
Authors of publication	Geoffrey Hyett; Nicolas Barrier; Simon J. Clarke; Joke Hadermann
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	11192 - 11201
a	3.9046 ± 0.0001 Å
b	3.9046 ± 0.0001 Å
c	34.4682 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	525.5 ± 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	0.049
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
178844 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/98.	4109897.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109897.cif
58675	2012-05-29	cif/ Adding structures of 4109897 via cif-deposit CGI script.	4109897.cif