Crystallography Open Database

Information card for entry 4326411

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Coordinates	4326411.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Neptunium di-mue-thiotetrathiodiphosphate
Formula	Np P4 S12
Calculated formula	Np P4 S12
Title of publication	Neptunium Thiophosphate Chemistry: Intermediate Behavior between Uranium and Plutonium
Authors of publication	Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9688 - 9695
a	12.832 ± 0.003 Å
b	12.832 ± 0.003 Å
c	9.817 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1616.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0407
Weighted residual factors for all reflections included in the refinement	0.0425
Goodness-of-fit parameter for all reflections included in the refinement	1.248
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
179367 (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 4/32/64.	4326411.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326411.cif
48582	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326411 via cif-deposit CGI script.	4326411.cif