Crystallography Open Database

Information card for entry 7711178

Preview

Coordinates	7711178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag0.8 Bi10.8 Cu2.8 Se18
Calculated formula	Ag0.8 Bi10.8 Cu2.8 Se18
Title of publication	Temperature-dependent Cu and Ag ion mobility and associated changes of transport properties in pavonite-type Cu1.4Ag0.4Bi5.4Se9
Authors of publication	Fraunhofer, Christina; Paul, Theresa; Oeckler, Oliver
Journal of publication	Dalton Transactions
Year of publication	2022
a	13.79 ± 0.003 Å
b	4.1971 ± 0.0008 Å
c	15.412 ± 0.003 Å
α	90°
β	99.58 ± 0.03°
γ	90°
Cell volume	879.6 ± 0.3 Å³
Cell temperature	623 ± 2 K
Ambient diffraction temperature	623 ± 2 K
Number of distinct elements	4
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	0.1209
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation wavelength	0.56083 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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