Crystallography Open Database

Information card for entry 4318213

Preview

Coordinates	4318213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As K S5 Sn
Calculated formula	As K S5 Sn
Title of publication	Controlling Lewis Basicity in Polythioarsenate Fluxes: Stabilization of KSnAsS5 and K2SnAs2S6. Extended Chains and Slabs Based on Pyramidal β-[AsS4]3- and [AsS3]3- Units
Authors of publication	Ratnasabapathy G. Iyer; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3605 - 3607
a	8.136 ± 0.002 Å
b	13.784 ± 0.004 Å
c	7.428 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	833 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179262 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/82.	4318213.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318213.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318213.cif
14512	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 4318213 via cif-deposit CGI script.	4318213.cif