Crystallography Open Database

Information card for entry 7711179

Preview

Coordinates	7711179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag0.8 Bi10.8 Cu2.8 Se18
Calculated formula	Ag0.8 Bi10.8 Cu2.796 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	13.7796 ± 0.0015 Å
b	4.1972 ± 0.0005 Å
c	15.3805 ± 0.0018 Å
α	90°
β	99.564 ± 0.009°
γ	90°
Cell volume	877.18 ± 0.18 Å³
Cell temperature	573 ± 2 K
Ambient diffraction temperature	573 ± 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	0.0675
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.56083 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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