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首页> 外文期刊>Crystal growth & design >A Crystal Chemical Approach to a Cation-Ordered Structure Model for Carbonate-Intercalated Layered Double Hydroxides
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A Crystal Chemical Approach to a Cation-Ordered Structure Model for Carbonate-Intercalated Layered Double Hydroxides

机译：碳酸酯层状双氢氧化物阳离子有序结构模型的晶体化学方法

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摘要

Layered double hydroxides comprise a stacking of positively charged metal hydroxide layers with anions and water molecules included in the interlayer galleries. Among the anions, the carbonate ion is the most ubiquitous in both mineral and laboratory synthesized phases. Taylor (1973) suggested that the carbonate ion (molecular symmetry D-3h) prefers a trigonal prismatic interlayer site (local symmetry D-3h), whereby the hydrogen bonding with the metal hydroxide layer is maximized. However, the cation ordered structure models of hexagonal symmetry include interlayer sites which are exclusively trigonal antiprisms (local symmetry D-3d). In keeping with Taylor's criterion, a hexagonal stacking of metal hydroxide layers does not permit the inclusion of carbonate ions in the interlayer. In this work, a crystal chemical approach is adopted based on the translationgleiche subgroups of hexagonal and cubic summits to arrive at a structure model based on the space group C2/m. In this structure, not only is the 3-fold symmetry of metal coordination retained, but also interlayer sites of similar to D-3h symmetry are generated to host the intercalated carbonate ions. Using this model, the structures of a cohort hydroxides are refined.
机译：层状双氢氧化物包括带正电的金属氢氧化物层与层间通道中包含的阴离子和水分子的堆叠。在阴离子中，碳酸根离子在矿物相和实验室合成相中最普遍。 Taylor（1973）提出，碳酸盐离子（分子对称性D-3h）更喜欢一个三角棱柱中间层位点（局部对称性D-3h），从而使与金属氢氧化物层的氢键最大化。但是，六边形对称的阳离子有序结构模型包括夹层位点，这些位点仅是三角反棱镜（局部对称D-3d）。按照泰勒准则，金属氢氧化物层的六边形堆积不允许夹层中包含碳酸根离子。在这项工作中，采用基于六方峰和立方峰的平移子群的晶体化学方法，得出基于空间群C2 / m的结构模型。在这种结构中，不仅保留了金属配位的三重对称性，而且还产生了与D-3h对称性相似的层间位点，以容纳插入的碳酸根离子。使用该模型，对同类氢氧化物的结构进行了改进。

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