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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of magnesium copper(II) bis­[orthophosphate(V)] monohydrate
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Crystal structure of magnesium copper(II) bis­[orthophosphate(V)] monohydrate

机译：双[正磷酸（V）]一水合铜镁（II）的晶体结构

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Single crystals of magnesium copper(II) bis­[orthophosphate(V)] monohydrate, Mg1.65Cu1.35(PO4)2·H2O, were grown under hydro­thermal conditions. The crystal structure is formed by three types of cationic sites and by two unique (PO4)3− anions. One site is occupied by Cu2+, the second site by Mg2+and the third site by a mixture of the two cations with an Mg2+:Cu2+ occupancy ratio of 0.657 (3):0.343 (3). The structure is built up from more or less distorted [MgO6] and [(Mg/Cu)O5(H2O)] octa­hedra, [CuO5] square-pyramids and regular PO4 tetra­hedra, leading to a framework structure. Within this framework, two types of layers parallel to (-101) can be distinguished. The first layer is formed by [Cu2O8] dimers linked to PO4 tetra­hedra via common edges. The second, more corrugated layer results from the linkage between [(Cu/Mg)2O8(H2O)2] dimers and [MgO6] octa­hedra by common edges. The PO4 units link the two types of layers, leaving space for channels parallel [101], into which the H atoms of the water mol­ecules protrude. The latter are involved in O—H⋯O hydrogen-bonding inter­actions (one bifurcated) with framework O atoms across the channels.
机译：在水热条件下生长了双[正磷酸（V）]铜铜（II）一水合镁单晶Mg1.65Cu1.35（PO4）2·H2O。晶体结构由三种类型的阳离子位和两个独特的（PO4）3-阴离子形成。一个位点被Cu2 +占据，第二个位点被Mg2 +占据，第三个位点被两种阳离子的Mg2 +：Cu2 +占有比为0.657（3）：0.343（3）的混合物占据。该结构由或多或少扭曲的[MgO6]和[（Mg / Cu）O5（H2O）]八面体，[CuO5]方形金字塔和规则的PO4四面体构成，从而形成框架结构。在此框架内，可以区分平行于（-101）的两种类型的层。第一层由通过共同边缘连接到PO4四面体的[Cu2O8]二聚体形成。第二个更波纹的层是由[（Cu / Mg）2O8（H2O）2]二聚体和[MgO6]八面体之间通过公共边缘连接而成。 PO4单元连接两种类型的层，为平行的通道留有空间[101]，水分子的H原子伸入其中。后者与通道中的骨架O原子发生O-H = O氢键相互作用（一个分支）。

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