Crystallography Open Database

Information card for entry 4519041

4519040 << 4519041 >> 4519042

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Coordinates	4519041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba8 Ga14.89 Sn31.11
Calculated formula	Ba8 Ga14.892 Sn31.108
Title of publication	Structural and Electrochemical Properties of Type VIII Ba<sub>8</sub>Ga<sub>16-δ</sub>Sn<sub>30+δ</sub> Clathrate (δ ≈ 1) during Lithiation.
Authors of publication	Dopilka, Andrew; Childs, Amanda; Ovchinnikov, Alexander; Zhao, Ran; Bobev, Svilen; Peng, Xihong; Chan, Candace K.
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	36
Pages of publication	42564 - 42578
a	11.5887 ± 0.0009 Å
b	11.5887 ± 0.0009 Å
c	11.5887 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1556.3 ± 0.2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	3
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0216
Residual factor for significantly intense reflections	0.0192
Weighted residual factors for significantly intense reflections	0.033
Weighted residual factors for all reflections included in the refinement	0.0335
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
269468 (current)	2021-10-03	cif/ Adding structures of 4519041 via cif-deposit CGI script.	4519041.cif