Crystallography Open Database

Information card for entry 4514310

Preview

Coordinates	4514310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al16 Ba8 Si30
Calculated formula	Al16.08 Ba8 Si29.92
Title of publication	Anodes for Lithium-Ion Batteries Based on Type I Silicon Clathrate Ba8Al16Si30 - Role of Processing on Surface Properties and Electrochemical Behavior.
Authors of publication	Zhao, Ran; Bobev, Svilen; Krishna, Lakshmi; Yang, Ting; Weller, J. Mark; Jing, Hangkun; Chan, Candace K.
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	47
Pages of publication	41246 - 41257
a	10.5888 ± 0.0003 Å
b	10.5888 ± 0.0003 Å
c	10.5888 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1187.24 ± 0.06 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.027
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
203923 (current)	2017-12-04	cif/ Adding structures of 4514310 via cif-deposit CGI script.	4514310.cif