Crystallography Open Database

Information card for entry 4513624

Preview

Coordinates	4513624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K6 Na2 Si46
Calculated formula	K3.42 Na4.58 Si46
Title of publication	Crystal Growth through Field-Assisted Electrochemical Redox and Ion-Exchange Reactions: A Case Study of K4.2Na3.8Si46Clathrate-I
Authors of publication	Dong, Yongkwan; Nolas, George S.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	10
Pages of publication	4731
a	10.2311 ± 0.0005 Å
b	10.2311 ± 0.0005 Å
c	10.2311 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1070.94 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0247
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4513624.cif
170042	2015-11-06	cif/ Updating files of 4513624, 4513625 Original log message: Adding full bibliography for 4513624--4513625.cif.	4513624.cif
158168	2015-09-19	cif/ Adding structures of 4513624 via cif-deposit CGI script.	4513624.cif