Crystallography Open Database

Information card for entry 4133983

Preview

Coordinates	4133983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs8 Ga27 Sb19
Calculated formula	Cs8 Ga27 Sb19
Title of publication	III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs<sub>8</sub>In<sub>27</sub>Sb<sub>19</sub> and <i>A</i><sub>8</sub>Ga<sub>27</sub>Sb<sub>19</sub> (<i>A</i> = Cs, Rb).
Authors of publication	Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	4
Pages of publication	2031 - 2041
a	22.9497 ± 0.0008 Å
b	22.9497 ± 0.0008 Å
c	22.9497 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	12087.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	206
Hermann-Mauguin space group symbol	I a -3
Hall space group symbol	-I 2b 2c 3
Residual factor for all reflections	0.1654
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
247530 (current)	2020-02-04	cif/ Updating files of 4133982, 4133983, 4133984, 4133985 Original log message: Adding full bibliography for 4133982--4133985.cif.	4133983.cif
246976	2020-01-18	cif/ Adding structures of 4133983 via cif-deposit CGI script.	4133983.cif