Crystallography Open Database

Information card for entry 4338666

Preview

Coordinates	4338666.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Hafnium sulfate tetrahydrate
Formula	H8 Hf O12 S2
Calculated formula	H8 Hf O12 S2
SMILES	[Hf]([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-]
Title of publication	Changing Hafnium Speciation in Aqueous Sulfate Solutions: A High-Energy X-ray Scattering Study.
Authors of publication	Kalaji, Ali; Skanthakumar, S.; Kanatzidis, Mercouri G.; Mitchell, John F.; Soderholm, L.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	12
Pages of publication	6321 - 6328
a	5.4884 ± 0.0001 Å
b	11.6086 ± 0.0003 Å
c	25.871 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1648.31 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	70
Hermann-Mauguin space group symbol	F d d d
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.011
Residual factor for significantly intense reflections	0.0108
Weighted residual factors for significantly intense reflections	0.0259
Weighted residual factors for all reflections included in the refinement	0.0259
Goodness-of-fit parameter for all reflections included in the refinement	1.328
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
179489 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/86.	4338666.cif
119100	2014-07-05	cif/ Updating files of 4338666, 4338667 Original log message: Adding full bibliography for 4338666--4338667.cif.	4338666.cif
114913	2014-05-30	cif/ Adding structures of 4338666 via cif-deposit CGI script.	4338666.cif