Crystallography Open Database

Information card for entry 7232769

Preview

Coordinates	7232769.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Type I silicon-gallium clathrate
Chemical name	sodium strontium gallium silicon
Formula	Ga8.4 Na4.2 Si37.6 Sr3.8
Calculated formula	Ga8.3984 Na4.2 Si37.6016 Sr3.8
Title of publication	Single crystal growth and structure analysis of type-I (Na/Sr)‒(Ga/Si) quaternary clathrates
Authors of publication	Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	26
Pages of publication	14586
a	10.3747 ± 0.0003 Å
b	10.3747 ± 0.0003 Å
c	10.3747 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1116.67 ± 0.06 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 ± 2 K
Number of distinct elements	4
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	0.0125
Residual factor for significantly intense reflections	0.0113
Weighted residual factors for significantly intense reflections	0.0283
Weighted residual factors for all reflections included in the refinement	0.0287
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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
215028 (current)	2019-05-10	cif/ Adding structures of 7232767, 7232768, 7232769 via cif-deposit CGI script.	7232769.cif