Crystallography Open Database

Information card for entry 4002915

Preview

Coordinates	4002915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi4 Cd Pb2 S9
Calculated formula	Bi4 Cd Pb2 S9
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	13.156 Å
b	4.011 Å
c	15.151 Å
α	90°
β	99.87°
γ	90°
Cell volume	787.666 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	0.0656
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223184 (current)	2019-11-04	cif/ Updating files of 4002910, 4002911, 4002912, 4002913, 4002914, 4002915 Original log message: Adding full bibliography for 4002910--4002915.cif.	4002915.cif
215073	2019-05-13	cif/ Adding structures of 4002915 via cif-deposit CGI script.	4002915.cif