Cargando…
Redetermination of K(2)Mg(3)(OH)(2)(SO(4))(3)(H(2)O)(2) from single-crystal X-ray data revealing the correct hydrogen-atom positions
In comparison with the previous structure determination of K(2)Mg(3)(OH)(2)(SO(4))(3)(H(2)O)(2), dipotassium trimagnesium dihydroxide tris(sulfate) dihydrate, from laboratory powder X-ray diffraction data [Kubel & Cabaret-Lampin (2013 ▸). Z. Anorg. Allg. Chem. 639, 1782–1786], the present rede...
Autor principal: | |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7784051/ https://www.ncbi.nlm.nih.gov/pubmed/33520284 http://dx.doi.org/10.1107/S2056989020016217 |
Sumario: | In comparison with the previous structure determination of K(2)Mg(3)(OH)(2)(SO(4))(3)(H(2)O)(2), dipotassium trimagnesium dihydroxide tris(sulfate) dihydrate, from laboratory powder X-ray diffraction data [Kubel & Cabaret-Lampin (2013 ▸). Z. Anorg. Allg. Chem. 639, 1782–1786], the present redetermination against CCD single-crystal data has allowed for the modelling of all non-H atoms with anisotropic displacement parameters. As well as higher accuracy and precision in terms of bond lengths and angles, the clear localization of the H-atom positions leads also to a reasonable hydrogen-bonding scheme for this hydroxy hydrate. The structure consists of (100) sheets composed of corner- and edge-sharing [MgO(6)] octahedra and sulfate tetrahedra. Adjacent sheets are linked by the potassium cations and a hydrogen bond of medium strength involving the water molecule. The title compound is isotypic with its Co(II) and Mn(II) analogues: the three K(2) M (3)(OH)(2)(SO(4))(3)(H(2)O)(2) (M = Mg, Co, Mn) structures are quantitatively compared. |
---|