Crystallography Open Database

Information card for entry 4002914

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Coordinates	4002914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag2 Bi6 Cd Se11
Calculated formula	Ag2 Bi6 Cd Se11
Title of publication	Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity
Authors of publication	Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	9
Pages of publication	3430
a	13.633 Å
b	4.146 Å
c	19.335 Å
α	90°
β	104.64°
γ	90°
Cell volume	1057.38 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1345
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	0.741
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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