Crystallography Open Database

Information card for entry 4002728

Preview

Coordinates	4002728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 F2 Fe Na2 O4
Calculated formula	C2 F2 Fe Na2 O4
Title of publication	Na2Fe(C2O4)F2: A New Iron-Based Polyoxyanion Cathode for Li/Na Ion Batteries
Authors of publication	Yao, Wenjiao; Sougrati, Moulay-Tahar; Hoang, Khang; Hui, Jianing; Lightfoot, Philip; Armstrong, A. Robert
Journal of publication	Chemistry of Materials
Year of publication	2017
Journal volume	29
Journal issue	5
Pages of publication	2167
a	15.8349 ± 0.0011 Å
b	5.962 ± 0.0004 Å
c	12.2784 ± 0.0008 Å
α	90°
β	111.968 ± 0.007°
γ	90°
Cell volume	1075.01 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	0.646
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
194779 (current)	2017-04-04	cif/ Updating files of 4002728 Original log message: Adding full bibliography for 4002728.cif.	4002728.cif
192501	2017-03-01	cif/ Adding structures of 4002728 via cif-deposit CGI script.	4002728.cif