Crystallography Open Database

Information card for entry 4002653

Preview

Coordinates	4002653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F K0.119 Li0.7 O4 P V
Calculated formula	F K0.119 Li0.7 O4 P V
Title of publication	AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries
Authors of publication	Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.
Journal of publication	Chemistry of Materials
Year of publication	2016
Journal volume	28
Journal issue	2
Pages of publication	411
a	12.7943 ± 0.0008 Å
b	6.3019 ± 0.0004 Å
c	10.577 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	852.81 ± 0.09 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n a n
Hall space group symbol	-P 2n 2bc
Residual factor for all reflections	0.3257
Residual factor for significantly intense reflections	0.2502
Weighted residual factors for significantly intense reflections	0.2521
Weighted residual factors for all reflections included in the refinement	0.2544
Goodness-of-fit parameter for significantly intense reflections	11.34
Goodness-of-fit parameter for all reflections included in the refinement	8.38
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0251 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288310 (current)	2023-12-14	cif/4/00/26/ Removed several data item with empty string values from entries 4002653-4002655.	4002653.cif
175773	2016-02-04	cif/ Updating files of 4002653, 4002654, 4002655 Original log message: Adding full bibliography for 4002653--4002655.cif.	4002653.cif
174419	2016-01-14	cif/ Adding structures of 4002653 via cif-deposit CGI script.	4002653.cif