Crystallography Open Database

Information card for entry 4329800

Preview

Coordinates	4329800.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	thorium oxyselenide
Chemical name	thorium(IV) oxide selenide
Formula	O Se Th
Calculated formula	O Se Th
Title of publication	Single-Crystal Structures, Optical Absorptions, and Electronic Distributions of Thorium Oxychalcogenides ThOQ (Q = S, Se, Te)
Authors of publication	Lukasz A. Koscielski; Emilie Ringe; Richard P. Van Duyne; Donald E. Ellis; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8112 - 8118
a	4.0176 ± 0.0004 Å
b	4.0176 ± 0.0004 Å
c	7.0198 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	113.307 ± 0.019 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0182
Residual factor for significantly intense reflections	0.0177
Weighted residual factors for significantly intense reflections	0.0443
Weighted residual factors for all reflections included in the refinement	0.0445
Goodness-of-fit parameter for all reflections included in the refinement	1.419
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
179401 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/98.	4329800.cif
79041	2013-04-04	cif/ Adding structures of 4329800 via cif-deposit CGI script.	4329800.cif