Crystallography Open Database

Information card for entry 4114009

Preview

Coordinates	4114009.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	potassium mercury germanium sulfide (2/3/2/8)
Formula	Ge2 Hg3 K2 S8
Calculated formula	Ge Hg1.5 K S4
Title of publication	α- and β-A2Hg3M2S8 (A = K, Rb; M = Ge, Sn): Polar Quaternary Chalcogenides with Strong Nonlinear Optical Response
Authors of publication	J.-H. Liao; G. M. Marking; K. F. Hsu; Y. Matsushita; M. D. Ewbank; R. Borwick; P. Cunningham; M. J. Rosker; M. G. Kanatzidis
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	9484 - 9493
a	19.082 ± 0.008 Å
b	9.551 ± 0.004 Å
c	8.2871 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1510.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1876
Weighted residual factors for all reflections included in the refinement	0.1953
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
178911 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/40.	4114009.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114009.cif
67287	2012-09-20	cif/ Adding structures of 4114009 via cif-deposit CGI script.	4114009.cif