Crystallography Open Database

Information card for entry 7715093

Preview

Coordinates	7715093.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	potassium fluoridooxidomolybdate
Chemical name	potassium fluoridooxidomolybdate
Formula	F3.4 K3 Mo2 O5.6
Calculated formula	F3.3996 K3 Mo2 O5.5998
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	5.7983 ± 0.0001 Å
b	5.7983 ± 0.0001 Å
c	21.1801 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	616.68 ± 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	0.0435
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1535
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.0189
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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