Crystallography Open Database

Information card for entry 7109946

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Coordinates	7109946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl Nb O8 Pb2 Se2
Calculated formula	Cl Nb O8 Pb2 Se2
Title of publication	Pb2TiOF(SeO3)2Cl and Pb2NbO2(SeO3)2Cl: small changes in structure induced a very large SHG enhancement
Authors of publication	Xue-Li Cao; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	9965
a	8.511 ± 0.0005 Å
b	5.4148 ± 0.0002 Å
c	10.73 ± 0.0006 Å
α	90°
β	111.753 ± 0.007°
γ	90°
Cell volume	459.28 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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