Crystallography Open Database

Information card for entry 4001503

Preview

Coordinates	4001503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H K0.75 Na0.25 Np O6.5 S
Calculated formula	H K0.75 Na0.25 Np O6.5 S
Title of publication	Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework
Authors of publication	Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S.
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	6
Pages of publication	1643
a	18.0998 ± 0.0012 Å
b	5.703 ± 0.0004 Å
c	23.1988 ± 0.0016 Å
α	90°
β	104.633 ± 0.001°
γ	90°
Cell volume	2317 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4001503.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001503.cif
47579	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001503 via cif-deposit CGI script.	4001503.cif