Crystallography Open Database

Information card for entry 4003883

Preview

Coordinates	4003883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl2 Li6 O4 Si
Calculated formula	Cl2 Li6 O4 Si
Title of publication	Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking
Authors of publication	Morscher, Alexandra; Dyer, Matthew S.; Duff, Benjamin B.; Han, Guopeng; Gamon, Jacinthe; Daniels, Luke M.; Dang, Yun; Surta, T. Wesley; Robertson, Craig M.; Blanc, Frédéric; Claridge, John B.; Rosseinsky, Matthew J.
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	6
Pages of publication	2206 - 2217
a	10.5204 ± 0.0008 Å
b	6.0756 ± 0.0004 Å
c	9.953 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	636.17 ± 0.08 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation probe	x-ray
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
263594 (current)	2021-04-04	cif/ Updating files of 4003883 Original log message: Adding full bibliography for 4003883.cif.	4003883.cif
262421	2021-03-04	cif/ Adding structures of 4003883 via cif-deposit CGI script.	4003883.cif