Crystallography Open Database

Information card for entry 4119420

4119419 << 4119420 >> 4119421

Preview

Coordinates	4119420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe3 H2 O10 S2
Calculated formula	Fe3 H2 O10 S2
SMILES	[Fe+2].[Fe+2].[Fe+2].[OH-].[OH-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-]
Title of publication	Preparation, Structure, and Electrochemistry of Layered Polyanionic Hydroxysulfates: LiMSO4OH (M = Fe, Co, Mn) Electrodes for Li-Ion Batteries
Authors of publication	Chinmayee V. Subban; Mohamed Ati; Gwenaëlle Rousse; Artem M. Abakumov; Gustaaf Van Tendeloo; Raphaël Janot; Jean-Marie Tarascon
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	3653 - 3661
a	5.293 ± 0.0003 Å
b	5.293 ± 0.0003 Å
c	13.0851 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	366.59 ± 0.04 Å³
Number of distinct elements	4
Space group number	141
Hermann-Mauguin space group symbol	I 41/a m d :2
Hall space group symbol	-I 4bd 2
Residual factor R(I) for significantly intense reflections	74.9612
Method of determination	powder diffraction
Diffraction radiation type	x-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200438 (current)	2017-09-11	cif Fixing (or adding) some Z values and formulae to more sensible values	4119420.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4119420.cif
103573	2014-03-05	cif/ Adding structures of 4119420 via cif-deposit CGI script.	4119420.cif