Crystallography Open Database

Information card for entry 4326410

Preview

Coordinates	4326410.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Neptunium orthothiophosphate
Formula	Np P S4
Calculated formula	Np P S4
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	10.8525 ± 0.0006 Å
b	10.8525 ± 0.0006 Å
c	19.2486 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2267 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0243
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	2.527
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.	4326410.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326410.cif
48581	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326410 via cif-deposit CGI script.	4326410.cif