Crystallography Open Database

Information card for entry 1562913

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Coordinates	1562913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O74 P18 Ti12 V2
Calculated formula	O74.04 P18 Ti12 V2
Title of publication	Equilibrium relations in the system TiO2/V2O5/P2O5 and crystal structure of a NASICON-related vanadyl(V) titanium(IV) phosphate
Authors of publication	Titlbach, Sven; Hoffbauer, Wilfried; Glaum, Robert
Journal of publication	Journal of Solid State Chemistry
Year of publication	2012
Journal volume	196
Pages of publication	565 - 573
a	8.4438 ± 0.0003 Å
b	8.4438 ± 0.0003 Å
c	22.215 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1371.68 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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