Crystallography Open Database

Information card for entry 4000783

Preview

Coordinates	4000783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Te3 Tl2 Zr
Calculated formula	Te3 Tl2 Zr
Title of publication	Structural, Thermal, and Physical Properties of the Thallium Zirconium Telluride Tl2ZrTe3
Authors of publication	Sankar, Cheriyedath Raj; Guch, Mykhailo; Assoud, Abdeljalil; Kleinke, Holger
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	17
Pages of publication	3886
a	19.1179 ± 0.0014 Å
b	19.1179 ± 0.0014 Å
c	19.1179 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	6987.5 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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.	4000783.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000783.cif
34953	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000783 via cif-deposit CGI script.	4000783.cif