Crystallography Open Database

Information card for entry 4001280

Preview

Coordinates	4001280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	S3 Te Tl2
Calculated formula	S3 Te Tl2
SMILES	S=[Te]([S-])[S-].[Tl+].[Tl+]
Title of publication	Synthesis, Structure, and Electronic and Physical Properties of Tl2TeS3, the First Characterized Thallium(I) Thiotellurate(IV)
Authors of publication	Rieger, Franziska; Mudring, Anja-Verena
Journal of publication	Chemistry of Materials
Year of publication	2007
Journal volume	19
Journal issue	2
Pages of publication	221
a	8.155 ± 0.002 Å
b	13.526 ± 0.006 Å
c	5.9648 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	657.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	0.891
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001280.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001280.cif
45149	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4001280 via cif-deposit CGI script.	4001280.cif