Crystallography Open Database

Information card for entry 4335678

Preview

Coordinates	4335678.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Neptunium selenide
Formula	Np2 Se5
Calculated formula	Np2 Se5
Title of publication	Reinvestigation of Np2Se5: A Clear Divergence from Th2S5 and Th2Se5 in Chalcogen-Chalcogen and Metal-Chalcogen Interactions
Authors of publication	Geng Bang Jin; Yung-Jin Hu; Brian Bellott; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9111 - 9118
a	5.4488 ± 0.0003 Å
b	5.4488 ± 0.0003 Å
c	10.6428 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	315.98 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	137
Hermann-Mauguin space group symbol	P 42/n m c :2
Hall space group symbol	-P 4ac 2a
Residual factor for all reflections	0.0213
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.0428
Goodness-of-fit parameter for all reflections included in the refinement	1.369
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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