Crystallography Open Database

Information card for entry 7216451

Preview

Coordinates	7216451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 Na3 O9 Y
Calculated formula	C3 Na3 O9 Y
Title of publication	Sodium–rare earth carbonates with shorite structure and large second harmonic generation response
Authors of publication	Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	21
Pages of publication	4414
a	9.82 ± 0.014 Å
b	10.883 ± 0.016 Å
c	7.038 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	752.2 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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