Crystallography Open Database

Information card for entry 4112588

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Coordinates	4112588.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cs Bi4 Te6
Formula	Bi4 Cs Te6
Calculated formula	Bi4 Cs Te6
Title of publication	A New Thermoelectric Material: CsBi4Te6
Authors of publication	Duck-Young Chung; Tim P. Hogan; Melissa Rocci-Lane; Paul Brazis; John R. Ireland; Carl R. Kannewurf; Marina Bastea; Ctirad Uher; Mercouri G. Kanatzidis
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	6414 - 6428
a	51.9205 ± 0.0008 Å
b	4.4025 ± 0.0001 Å
c	14.5118 ± 0.0003 Å
α	90°
β	101.48 ± 0.001°
γ	90°
Cell volume	3250.75 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for all reflections	0.1127
Weighted residual factors for significantly intense reflections	0.1017
Goodness-of-fit parameter for all reflections	1.05
Goodness-of-fit parameter for significantly intense reflections	1.096
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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