Crystallography Open Database

Information card for entry 1563561

Preview

Coordinates	1563561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca8 Cl4 Fe2.58 Mn3.42 O16
Calculated formula	Ca8 Cl4 Fe2.58 Mn3.42 O16
Title of publication	Ca4Fe3−xMnxO8−δCl2: A new n=3 Ruddlesden‒Popper oxychloride
Authors of publication	Yang, Tao; Sun, Junliang; Croft, Mark; Nowik, Israel; Ignatov, Alexander; Cong, Rihong; Greenblatt, Martha
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	6
Pages of publication	1215 - 1220
a	3.796 ± 0.0005 Å
b	3.796 ± 0.0005 Å
c	30.846 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	444.48 ± 0.12 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	0.0466
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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