Crystallography Open Database

Information card for entry 4004024

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Coordinates	4004024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi5 Na Nb4 O18
Calculated formula	Bi5 Na Nb4 O18
Title of publication	Structural Origin of Very Large Second-Harmonic Generation of a Layered Perovskite, Na0.5Bi2.5Nb2O9
Authors of publication	Kim, Kisung; Lee, Min Hyung; Ok, Kang Min
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	16
Pages of publication	6564 - 6571
a	24.9258 ± 0.001 Å
b	5.4638 ± 0.0002 Å
c	5.4927 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	748.05 ± 0.05 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.1421
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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