Crystallography Open Database

Information card for entry 2102087

2102086 << 2102087 >> 2102088

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Coordinates	2102087.cif
Original IUCr paper	HTML

Structure parameters

Formula	K O3 Ta
Calculated formula	K O3 Ta
SMILES	[O][Ta]12([O])([O])O[Ta]3([O])([O])([O])O[Ta]4([O])([O])([O])O[Ta](O1)([O])([O])([O])O[Ta]1([O])([O])([O])O[Ta](O2)([O])([O])([O])O[Ta](O3)([O])([O])([O])O[Ta](O1)(O4)([O])([O])[O].[K+]
Title of publication	Electron density and atomic displacements in KTaO~3~
Authors of publication	Zhurova, Elizabeth A.; Ivanov, Yury; Zavodnik, Valery; Tsirelson, Vladimir
Journal of publication	Acta Crystallographica Section B
Year of publication	2000
Journal volume	56
Journal issue	4
Pages of publication	594 - 600
a	3.9883 ± 0.0002 Å
b	3.9883 ± 0.0002 Å
c	3.9883 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	63.44 ± 0.006 Å³
Cell temperature	298 K
Number of distinct elements	3
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for significantly intense reflections	0.0043
Weighted residual factors for all reflections included in the refinement	0.0053
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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