Crystallography Open Database

Information card for entry 7113444

Preview

Coordinates	7113444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K16 O86 Si2 W18
Calculated formula	K16 O86.5 Si2 W18
Title of publication	Synthesis, molecular structure and chemical properties of a new tungstosilicate with an open Wells‒Dawson structure, α-[Si2W18O66]16-
Authors of publication	Laronze, Nathalie; Marrot, Jérôme; Hervé, Gilbert
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	18
Pages of publication	2360 - 2361
a	12.4908 ± 0.0002 Å
b	15.5014 ± 0.0001 Å
c	25.5553 ± 0.0001 Å
α	94.983 ± 0.001°
β	94.987 ± 0.001°
γ	111.012 ± 0.001°
Cell volume	4564.42 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1207
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1719
Weighted residual factors for all reflections included in the refinement	0.2154
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104806
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210698 (current)	2018-09-10	cif/7/ Updating bibliography in entries 7104806-7104807, 7113444-7113445. Marking entries 7113444-7113445 as duplicates of entries 7104806-7104807.	7113444.cif
180248	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34.	7113444.cif
115068	2014-06-02	cif/ Adding structures of 7113444, 7113445 via cif-deposit CGI script.	7113444.cif