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首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >Structural synthon approach to predict the possible polytypes of layered double hydroxides
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Structural synthon approach to predict the possible polytypes of layered double hydroxides

机译:结构合成子方法预测层状双氢氧化物的可能多型

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The complete universe of possible polytypes of layered double hydroxides (LDH) is predicted on the basis of symmetry arguments. A single [MX _2] (X = OH) layer, also defined as a structural synthon, belongs to the layer group P$ar{3}$2/m1. These layers can be stacked in such a way as to conserve the unique 3-axis of the layer in the resultant crystal. The different stacking sequences that facilitate symmetry conservation, yield the different possible polytypes of rhombohedral and hexagonal symmetries. More polytypes can be envisaged by including stacking sequences that systematically destroy the principal symmetry elements of the structural synthon. Thereby, stacking sequences that destroy the 3-axis, while retaining the 2-axis, yield possible polytypes of monoclinic symmetry. The nitrate-containing LDH of zinc and aluminum crystallizes in a faulted structure in which, the planar faults are shown to arise on account of stacking sequences whose local symmetry is monoclinic. This approach to polytype prediction expands on an earlier reported method by Bookin and Drits and is very general with important implications for other classes of layered materials
机译:根据对称性参数,可以预测层状双氢氧化物(LDH)可能的多型的完整领域。单个[MX _2](X = OH)层(也定义为结构合成子)属于层组P $ bar {3} $ 2 / m1。可以以在所得晶体中保留该层的唯一3轴的方式堆叠这些层。促进对称性守恒的不同堆叠顺序会产生菱形和六边形对称性的不同可能的多型。通过包括系统地破坏结构合成子的主要对称元件的堆积序列,可以设想更多的多型。因此,破坏3轴同时保留2轴的堆叠序列会产生单斜对称的可能多型。锌和铝的含硝酸盐的LDH在断层结构中结晶,其中平面断层由于局部对称为单斜晶系的堆积序列而出现。这种多型预测方法是在Bookin和Drits先前报道的方法的基础上扩展的,并且非常通用,对其他类别的分层材料具有重要意义

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