Crystallography Open Database

Information card for entry 4003017

Preview

Coordinates	4003017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe1.035 Li0.965 O4 P0.905
Calculated formula	Fe1.0354 Li0.96503 O4 P0.906
Title of publication	“Hydrotriphylites” Li1‒xFe1+x(PO4)1‒y(OH)4y as Cathode Materials for Li-ion Batteries
Authors of publication	Sumanov, Vasily D.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor; Sobolev, Alexey V.; Glazkova, Iana; Tsirlin, Alexander A.; Rupasov, Dmitry; Senyshyn, Anatoliy; Kolesnik, Irina V.; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	14
Pages of publication	5035
a	10.3385 ± 0.0002 Å
b	5.99521 ± 0.00013 Å
c	4.70108 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	291.38 ± 0.01 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	26
Hermann-Mauguin space group symbol	P 21 m a
Hall space group symbol	P -2a 2a
Residual factor for all reflections	0.018
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for all reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0267
Goodness-of-fit parameter for all reflections	1.52
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.5472 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220440 (current)	2019-10-29	cif/ Adding structures of 4003017 via cif-deposit CGI script.	4003017.cif