Crystallography Open Database

Information card for entry 7107593

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Coordinates	7107593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H2 I6 O19 Pb Pt
Calculated formula	H2.0001 I6 O19 Pb Pt
Title of publication	PbPt(IO3)6(H2O): A New Polar Material with Two Types of Stereoactive Lone-Pairs and a Very Large SHG Response
Authors of publication	Chuan-Fu Sun; Chun-Li Hu; Jiang-Gao Mao
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	4220
a	11.3072 ± 0.0006 Å
b	11.3072 ± 0.0006 Å
c	11.2423 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	1244.79 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0163
Residual factor for significantly intense reflections	0.0162
Weighted residual factors for significantly intense reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.035
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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