Crystallography Open Database

Information card for entry 2100159

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Coordinates	2100159.cif
Original IUCr paper	HTML

Structure parameters

Formula	B32 K16 Nb16 O96
Calculated formula	B8 K4 Nb4 O24
Title of publication	Structure of KNbOB~2~O~5~ ‒ a commensurately modulated structure
Authors of publication	Schmid, Siegbert; Wagner, Trixie
Journal of publication	Acta Crystallographica Section B
Year of publication	2005
Journal volume	61
Journal issue	4
Pages of publication	361 - 366
a	7.3056 ± 0.0011 Å
b	31.1632 ± 0.0018 Å
c	9.1659 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2086.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P b n 21
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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