Crystallography Open Database

Information card for entry 2238659

Preview

Coordinates	2238659.cif
Original IUCr paper	HTML

Structure parameters

Common name	Tamarugite
Chemical name	Sodium aluminium bis(sulfate) hexahydrate
Formula	Al H12 Na O14 S2
Calculated formula	Al H12 Na O14 S2
SMILES	[Na+].[O-]S(=O)(=O)[O-].[Al]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-]
Title of publication	Redetermination of tamarugite, NaAl(SO~4~)~2~·6H~2~O
Authors of publication	Mereiter, Kurt
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	i63 - i64
a	7.3847 ± 0.0003 Å
b	25.2814 ± 0.0015 Å
c	6.1097 ± 0.0003 Å
α	90°
β	94.85 ± 0.02°
γ	90°
Cell volume	1136.57 ± 0.1 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	0.0339
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2238659.cif
89609	2013-11-06	cif/ Adding structures of 2238659 via cif-deposit CGI script.	2238659.cif