Crystallography Open Database

Information card for entry 4133982

Preview

Coordinates	4133982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga27 Rb8 Sb19
Calculated formula	Ga27 Rb8 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	22.8962 ± 0.00004 Å
b	22.8962 ± 0.00004 Å
c	22.8962 ± 0.00004 Å
α	90°
β	90°
γ	90°
Cell volume	12003 ± 0.04 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0514
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for all reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0499
Goodness-of-fit parameter for all reflections	1.32
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41275 Å
Diffraction radiation type	synchrotron
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.	4133982.cif
246975	2020-01-18	cif/ Adding structures of 4133982 via cif-deposit CGI script.	4133982.cif