Crystallography Open Database

Information card for entry 4325414

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Coordinates	4325414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Bi In S5
Calculated formula	Ba2 Bi In S5
Title of publication	Syntheses and Characterization of new Mid-Infrared Transparency Compounds: Centric Ba2BiGaS5 and Acentric Ba2BiInS5
Authors of publication	Lei Geng; Wen-Dan Cheng; Chen-Sheng Lin; Wei-Long Zhang; Hao Zhang; Zhang-Zhen He
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5679 - 5686
a	4.2535 ± 0.0017 Å
b	18.252 ± 0.007 Å
c	12.685 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	984.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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