Crystallography Open Database

Information card for entry 7019864

7019863 << 7019864 >> 7019865

Preview

Coordinates	7019864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Hf Se3 Tl2
Calculated formula	Hf Se3 Tl2
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	8.1544 ± 0.0011 Å
b	3.8812 ± 0.0005 Å
c	10.6224 ± 0.0014 Å
α	90°
β	97.435 ± 0.002°
γ	90°
Cell volume	333.36 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0453
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.172
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.	7019864.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019864.cif
64333	2012-08-12	cif/ Adding structures of 7019864, 7019865 via cif-deposit CGI script.	7019864.cif