Crystallography Open Database

Information card for entry 8103013

Preview

Coordinates	8103013.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Potassium Hexa-Aquairon(II) sulfate
Formula	Fe H12 K2 O14 S2
Calculated formula	Fe H12 K2 O14 S2
Title of publication	Refinement of the crystal structure of potassium hexaaquairon(II) sulfate, K2[Fe(H2O)6](SO4)2 and potassium hexaaquazinc(II) sulfate, K2[Zn(H2O)6](SO4)2
Authors of publication	Harald Euler; Bruno Barbier; Alke Meents; Armin Kirfel
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	2
Pages of publication	171
a	9.0651 ± 0.001 Å
b	12.252 ± 0.001 Å
c	6.1646 ± 0.0005 Å
α	90°
β	104.536 ± 0.007°
γ	90°
Cell volume	662.76 ± 0.11 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0211
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103013.cif
120070	2014-07-11	cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8.	8103013.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103013.cif
13752	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103013 via cif-deposit CGI script.	8103013.cif