Crystallography Open Database

Information card for entry 1563679

Preview

Coordinates	1563679.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Neptunium oxysulfide
Formula	Np O S
Calculated formula	Np O S
Title of publication	Single-crystal structures of uranium and neptunium oxychalcogenides AnOQ (An=U, Np; Q=S, Se)
Authors of publication	Jin, Geng Bang; Raw, Adam D.; Skanthakumar, S.; Haire, Richard G.; Soderholm, L.; Ibers, James A.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	3
Pages of publication	547 - 550
a	3.8088 ± 0.0003 Å
b	3.8088 ± 0.0003 Å
c	6.6491 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	96.458 ± 0.014 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	0.0166
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections included in the refinement	1.37
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
266664 (current)	2021-06-24	cif/ Adding structures of 1563679, 1563680, 1563681, 1563682, 1563683, 1563684, 1563685 via cif-deposit CGI script.	1563679.cif