Crystallography Open Database

Information card for entry 7047885

Preview

Coordinates	7047885.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Manganese Cobalt Sodium Hexacyanoferrate(III) hydrate
Formula	C12 Co1.1 Fe2 Mn0.9 N12 Na4 O4
Calculated formula	C12 Co1.1 Fe2 Mn0.9 N12 Na4 O4
Title of publication	Electronic density distribution of Mn-N bonds by a tuning effect through partial replacement of Mn by Co or Ni in a sodium-rich hexacyanoferrate and its influence on the stability as a cathode for Na-ion batteries.
Authors of publication	Oliver-Tolentino, M; González M, M; Osiry, H.; Ramos-Sánchez, G; González, I
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	46
Pages of publication	16492 - 16501
a	10.4693 ± 0.0005 Å
b	7.4863 ± 0.0005 Å
c	7.2867 ± 0.0006 Å
α	90°
β	92.411 ± 0.005°
γ	90°
Cell volume	570.6 ± 0.07 Å³
Cell temperature	298 K
Ambient diffraction temperature	300 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.127
Residual factor R(I) for significantly intense reflections	10.697
Goodness-of-fit parameter for all reflections	1.538
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229634 (current)	2019-11-17	cif/ Updating files of 7047885, 7047886, 7047887 Original log message: Adding full bibliography for 7047885--7047887.cif.	7047885.cif
211645	2018-10-26	cif/ Adding structures of 7047885, 7047886, 7047887 via cif-deposit CGI script.	7047885.cif