Crystallography Open Database

Information card for entry 4002853

Preview

Coordinates	4002853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi4.04 Cd0.99 Pb0.96 Se8
Calculated formula	Bi4.04 Cd0.986 Pb0.96 Se8
Title of publication	Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties
Authors of publication	Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2017
Journal volume	29
Journal issue	19
Pages of publication	8494
a	13.713 ± 0.003 Å
b	4.1665 ± 0.0008 Å
c	15.228 ± 0.003 Å
α	90°
β	115.56 ± 0.03°
γ	90°
Cell volume	784.9 ± 0.3 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	0.0484
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202663 (current)	2017-11-07	cif/ Updating files of 4002852, 4002853 Original log message: Adding full bibliography for 4002852--4002853.cif.	4002853.cif
201553	2017-10-01	cif/ Adding structures of 4002853 via cif-deposit CGI script.	4002853.cif