Crystallography Open Database

Information card for entry 4312378

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Coordinates	4312378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi3 K Se9 Sn4
Calculated formula	Bi2.5496 K0.546 Se9 Sn4.9046
Title of publication	Tropochemical Cell-Twinning in the New Quaternary Bismuth Selenides KxSn6-2xBi2+xSe9 and KSn5Bi5Se13
Authors of publication	Antje Mrotzek; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	7200 - 7206
a	4.2096 ± 0.0004 Å
b	14.0056 ± 0.0014 Å
c	32.451 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1913.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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