Crystallography Open Database

Information card for entry 4316500

Preview

Coordinates	4316500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Se6 Tl U2
Calculated formula	Se6 Tl U2
Title of publication	Dichalcogenide Bonding in Seven Alkali-Metal Actinide Chalcogenides of the KTh2Se6 Structure Type
Authors of publication	Daniel E. Bugaris; Daniel M. Wells; Jiyong Yao; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	8381 - 8388
a	4.0387 ± 0.0005 Å
b	5.5524 ± 0.0007 Å
c	21.646 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	485.4 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.878
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
179245 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/65.	4316500.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316500.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316500.cif
9703	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316500 via cif-deposit CGI script.	4316500.cif