Crystallography Open Database

Information card for entry 4104386

Preview

Coordinates	4104386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	I6 K2 O18 Ti
Calculated formula	I6 K2 O18 Ti
SMILES	[I](O[Ti](O[I](=O)=O)(O[I](=O)=O)(O[I](=O)=O)(O[I](=O)=O)O[I](=O)=O)(=O)=O.[K+].[K+]
Title of publication	Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)
Authors of publication	Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	6865 - 6873
a	11.2703 ± 0.0006 Å
b	11.2703 ± 0.0006 Å
c	11.3514 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	1248.68 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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