Weil Matthias
Institute for Chemical Technologies and Analytics, Division of Structural Chemistry, TU Wien, Getreidemarkt 9/164-SC, A-1060 Vienna, Austria.
Acta Crystallogr E Crystallogr Commun. 2021 Jan 1;77(Pt 1):62-65. doi: 10.1107/S2056989020016217.
In comparison with the previous structure determination of KMg(OH)(SO)(HO), dipotassium trimagnesium di-hydroxide tris-(sulfate) dihydrate, from laboratory powder X-ray diffraction data [Kubel & Cabaret-Lampin (2013 ▸). , 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 hy-droxy hydrate. The structure consists of (100) sheets composed of corner- and edge-sharing [MgO] octa-hedra and sulfate tetra-hedra. Adjacent sheets are linked by the potassium cations and a hydrogen bond of medium strength involving the water mol-ecule. The title compound is isotypic with its Co and Mn analogues: the three K (OH)(SO)(HO) ( = Mg, Co, Mn) structures are qu-anti-tatively compared.
与之前通过实验室粉末X射线衍射数据对三水合二钾三镁二氢氧化物三硫酸盐（KMg(OH)(SO)(HO)）进行的结构测定[库贝尔和卡巴雷 - 兰平（2013 ▸）。 ，1782 - 1786]相比，此次基于电荷耦合器件（CCD）单晶数据的重新测定使得所有非氢原子都能够用各向异性位移参数进行建模。除了在键长和键角方面具有更高的准确性和精度外，氢原子位置的清晰定位还为这种羟基水合物得出了合理的氢键方案。该结构由（100）层组成，这些层由角共享和边共享的[MgO]八面体以及硫酸根四面体构成。相邻的层通过钾阳离子和涉及水分子的中等强度氢键相连。标题化合物与其钴和锰类似物是同型的：对三种K (OH)(SO)(HO)（ = Mg、Co、Mn）结构进行了定量比较。
