Crystallography Open Database

Information card for entry 4323271

Preview

Coordinates	4323271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe2 Mo0.84 O13.42 V3.16
Calculated formula	Fe2 Mo0.837 O13.42 V3.163
Title of publication	Structural Comparison of Iron Tetrapolyvanadate Fe2V4O13 and Iron Polyvanadomolybdate Fe2V3.16Mo0.84O13.42: A New Substitution Mechanism of Molybdenum(VI) for Vanadium(V)
Authors of publication	Xiandong Wang; Kevin R. Heier; Charlotte L. Stern; Kenneth R. Poeppelmeier
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	6921 - 6927
a	7.678 ± 0.001 Å
b	9.456 ± 0.002 Å
c	8.336 ± 0.002 Å
α	90°
β	109.5 ± 0.02°
γ	90°
Cell volume	570.5 ± 0.2 Å³
Cell temperature	153.2 K
Ambient diffraction temperature	153.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.026
Weighted residual factors for all reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0297
Goodness-of-fit parameter for all reflections	2.013
Goodness-of-fit parameter for significantly intense reflections	2.013
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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