Crystallography Open Database

Information card for entry 7231949

7231948 << 7231949 >> 7231950

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Coordinates	7231949.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Type I silicon-gallium clathrate
Chemical name	sodium gallium silicon
Formula	Ga5.52 Na8 Si40.48
Calculated formula	Ga5.52 Na8 Si40.48
Title of publication	Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes
Authors of publication	Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	71
Pages of publication	40505
a	10.321 ± 0.0003 Å
b	10.321 ± 0.0003 Å
c	10.321 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1099.42 ± 0.06 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 ± 2 K
Number of distinct elements	3
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.0127
Residual factor for significantly intense reflections	0.012
Weighted residual factors for significantly intense reflections	0.0307
Weighted residual factors for all reflections included in the refinement	0.0311
Goodness-of-fit parameter for all reflections included in the refinement	1.214
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
212372 (current)	2018-12-05	cif/ Adding structures of 7231947, 7231948, 7231949, 7231950, 7231951 via cif-deposit CGI script.	7231949.cif