Crystallography Open Database

Information card for entry 4325420

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Coordinates	4325420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba1.14 In0.38 S1.81
Calculated formula	Ba1.14286 In0.380952 S1.80952
Title of publication	Contribution of Disulfide S22-Anions to the Crystal and Electronic Structures in Ternary Sulfides, Ba12In4S19, Ba4M2S8 (M = Ga, In)
Authors of publication	Ji-Wei Liu; Peng Wang; Ling Chen
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5706 - 5713
a	9.6182 ± 0.0005 Å
b	9.6182 ± 0.0005 Å
c	75.393 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	6040.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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