Crystallography Open Database

Information card for entry 7019865

7019864 << 7019865 >> 7019866

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Coordinates	7019865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	S3 Tl2 Zr
Calculated formula	S3 Tl2 Zr
Title of publication	Structures and properties of the ternary thallium chalcogenides Tl(2)MQ(3) (M = Zr, Hf; Q = S, Se).
Authors of publication	Sankar, Cheriyedath Raj; Kuropatwa, Bryan A.; Assoud, Abdeljalil; Kleinke, Holger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	32
Pages of publication	9646 - 9650
a	7.9159 ± 0.001 Å
b	3.7651 ± 0.0005 Å
c	10.2756 ± 0.0013 Å
α	90°
β	97.476 ± 0.002°
γ	90°
Cell volume	303.65 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0589
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
179902 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/98.	7019865.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019865.cif
64333	2012-08-12	cif/ Adding structures of 7019864, 7019865 via cif-deposit CGI script.	7019865.cif