Crystallography Open Database

Information card for entry 8102900

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Coordinates	8102900.cif

Structure parameters

Chemical name	potassium ytterbium tetrathiosilicate(IV)
Formula	K S4 Si Yb
Calculated formula	K S4 Si Yb
SMILES	[K+].[Yb+3].[S-][Si]([S-])([S-])[S-]
Title of publication	Crystal structure of potassium ytterbium(III) tetrathiosilicate, KYbSiS~4~
Authors of publication	A. K. Gray; J. M. Knaust; B. C. Chan; L. A. Polyakova; P. K. Dorhout
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2005
Journal volume	220
Journal issue	3
Pages of publication	293 - 293
a	6.316 ± 0.005 Å
b	6.557 ± 0.005 Å
c	8.571 ± 0.007 Å
α	90°
β	108.088 ± 0.012°
γ	90°
Cell volume	337.4 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102900.cif
107931	2014-03-24	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102900.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102900.cif
13639	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102900 via cif-deposit CGI script.	8102900.cif