Crystallography Open Database

Information card for entry 4316501

Preview

Coordinates	4316501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs0.88 La0.68 Se6 U1.32
Calculated formula	Cs0.879 La0.674 Se6 U1.326
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	4.154 ± 0.0005 Å
b	5.6575 ± 0.0007 Å
c	23.721 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	557.47 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0453
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	2.265
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.	4316501.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316501.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316501.cif
9704	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316501 via cif-deposit CGI script.	4316501.cif