Crystallography Open Database

Information card for entry 4306276

Preview

Coordinates	4306276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs11.5 K1.5 Na1.5 O134 Si3 Ti10 W27
Calculated formula	Cs11.5 K1.5 Na1.56 O134.76 Si3 Ti10 W27
Title of publication	Cyclic Ti9 Keggin Trimers with Tetrahedral (PO4) or Octahedral (TiO6) Capping Groups
Authors of publication	Ghada A. Al-Kadamany; Firasat Hussain; Sib Sankar Mal; Michael H. Dickman; Nathalie Leclerc-Laronze; Jérôme Marrot; Emmanuel Cadot; Ulrich Kortz
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8574 - 8576
a	30.3253 ± 0.0011 Å
b	30.3253 ± 0.0011 Å
c	15.8808 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	12647.7 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.233
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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