Crystallography Open Database

Information card for entry 7715092

Preview

Coordinates	7715092.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	potassium fluoridooxidovanadate
Chemical name	potassium fluoridooxidovanadate
Formula	F5.7 K3 O3.3 V2
Calculated formula	F5.7 K3 O3.3 V2
Title of publication	K<sub>3</sub>Mo<sub>2</sub>O<sub>5.6</sub>F<sub>3.4</sub> and K<sub>3</sub>V<sub>2</sub>O<sub>3.3</sub>F<sub>5.7</sub> - exploring transition metal cation valence and anion distribution in oxyfluorides.
Authors of publication	Zimmerhofer, Fabian; Wolf, Eric; Öcal, Baris; Olthof, Selina; Reimann, Maximilian Kai; Pöttgen, Rainer; Huppertz, Hubert
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	9
Pages of publication	4278 - 4290
a	5.7442 ± 0.0001 Å
b	5.7442 ± 0.0001 Å
c	21.0484 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	601.46 ± 0.02 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.0139
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7715092.html