Crystallography Open Database

Information card for entry 4127956

Preview

Coordinates	4127956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi2.72 Mn1.28 Rb0.88 S6
Calculated formula	Bi2.7204 Mn1.28 Rb0.88 S6
Title of publication	K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.
Authors of publication	Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	42
Pages of publication	16903 - 16914
a	3.95293 ± 0.00014 Å
b	3.95293 ± 0.00014 Å
c	23.5976 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	319.33 ± 0.03 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.319
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
221108 (current)	2019-11-02	cif/ Adding structures of 4127956 via cif-deposit CGI script.	4127956.cif