Crystallography Open Database

Information card for entry 4000895

Preview

Coordinates	4000895.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	sodium iron phosphate
Formula	Fe Na0.71 O4 P
Calculated formula	Fe Na0.71 O4 P
Title of publication	Structure and Stability of Sodium Intercalated Phases in Olivine FePO4
Authors of publication	Moreau, P.; Guyomard, D.; Gaubicher, J.; Boucher, F.
Journal of publication	Chemistry of Materials
Year of publication	2010
Journal volume	22
Journal issue	14
Pages of publication	4126
a	10.2886 ± 0.0007 Å
b	6.0822 ± 0.0004 Å
c	4.9372 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	308.96 ± 0.04 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0145
Residual factor for significantly intense reflections	0.0145
Weighted residual factors for significantly intense reflections	0.0175
Weighted residual factors for all reflections included in the refinement	0.0175
Residual factor R(I) for significantly intense reflections	0.026
Goodness-of-fit parameter for all reflections	1.37
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4000895.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000895.cif
36553	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000895 via cif-deposit CGI script.	4000895.cif