Crystallography Open Database

Information card for entry 4344721

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Coordinates	4344721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl6 Cs39 Ga53 Se96
Calculated formula	Cl6 Cs39 Ga52.92 Se96
Title of publication	(Cs6Cl)6Cs3[Ga53Se96]: A Unique Long Period-Stacking Structure of Layers Made from Ga2Se6 Dimers via Cis or Trans Intralayer Linking.
Authors of publication	Lin, Hua; Chen, Hong; Lin, Zi-Xiong; Zhao, Hua-Jun; Liu, Peng-Fei; Yu, Ju-Song; Chen, Ling
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	3
Pages of publication	1014 - 1016
a	11.99 ± 0.0005 Å
b	11.99 ± 0.0005 Å
c	50.012 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	6226.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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