Crystallography Open Database

Information card for entry 2107470

Preview

Coordinates	2107470.cif
Original IUCr paper	HTML

Structure parameters

Formula	Cs3 O15 Sc Si6
Calculated formula	Cs3 O15 Sc Si6
Title of publication	(3+1)-Incommensurately modulated crystal structure of Cs~3~ScSi~6~O~15~
Authors of publication	Hejny, Clivia; Kahlenberg, Volker; Schmidmair, Daniela; Dabić, Predrag
Journal of publication	Acta Crystallographica Section B
Year of publication	2016
Journal volume	72
Journal issue	1
Pages of publication	109 - 116
a	13.8611 ± 0.0013 Å
b	13.8611 ± 0.0013 Å
c	6.9924 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1163.5 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0235
Weighted residual factors for all reflections included in the refinement	0.0259
Goodness-of-fit parameter for significantly intense reflections	1.16
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
176613 (current)	2016-02-17	cif/ Updating files of 2107470 Original log message: Adding full bibliography for 2107470.cif.	2107470.cif
176562	2016-02-17	cif/ Updating files of 2107470 Original log message: Adding full bibliography for 2107470.cif.	2107470.cif
175334	2016-01-31	cif/ Adding structures of 2107470 via cif-deposit CGI script.	2107470.cif