Crystallography Open Database

Information card for entry 4002912

Preview

Coordinates	4002912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag2.36 Cd0.96 Sb6.53 Se12
Calculated formula	Ag2.354 Cd0.96 Sb6.526 Se12
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	13.547 Å
b	4.087 Å
c	20.706 Å
α	90°
β	102.36°
γ	90°
Cell volume	1119.85 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	0.0643
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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