Crystallography Open Database

Information card for entry 4003016

Preview

Coordinates	4003016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe1.055 Li0.945 O4 P0.837
Calculated formula	Fe1.068 Li0.93201 O4 P0.841
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	10.3676 ± 0.0002 Å
b	5.99871 ± 0.00012 Å
c	4.71309 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	293.118 ± 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	0.0277
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for all reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0368
Goodness-of-fit parameter for all reflections	1.64
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.54733 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220439 (current)	2019-10-29	cif/ Adding structures of 4003016 via cif-deposit CGI script.	4003016.cif