Crystallography Open Database

Information card for entry 7704131

Preview

Coordinates	7704131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2 H6 K2 O7
Calculated formula	Al2 H6 K2 O7
Title of publication	Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization.
Authors of publication	Dembowski, Mateusz; Prange, Micah P.; Pouvreau, Maxime; Graham, Trent R.; Bowden, Mark E.; N'Diaye, Alpha; Schenter, Gregory K.; Clark, Sue B.; Clark, Aurora E.; Rosso, Kevin M.; Pearce, Carolyn I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	18
Pages of publication	5869 - 5880
a	10.1605 ± 0.0012 Å
b	7.5416 ± 0.0008 Å
c	9.999 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	766.19 ± 0.15 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
252802 (current)	2020-06-05	cif/ Updating files of 7704131, 7704132, 7704133 Original log message: Adding full bibliography for 7704131--7704133.cif.	7704131.cif
250966	2020-04-21	cif/ Adding structures of 7704131, 7704132, 7704133 via cif-deposit CGI script.	7704131.cif