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首页> 外文期刊>Crystal growth & design >Experimental Establishment of Mother-Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter
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Experimental Establishment of Mother-Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter

机译：母女取向关系和孪生效应在相变中的实验建立：杰克·古古塔斯（Jack Gougoutas）和佩吉·埃特（Peggy Etter）的伟大遗产

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摘要

A simple procedure, with an available program, may readily be used to establish the three-dimensional relationships between a mother and daughter phase, where mother and daughter are either two different phases of a material or a reactant and product in a solid-state transformation. The only requirements are that (i) the process involves a crystal-to-crystal transformation, and (ii) the experiment must be carried out without changing the alignment of the mother crystal. Application of the method supports the inferred alignment of mother and daughter phases in the published structures of two polymorphs of 4-cyanopyridinium perchlorate monohydrate 1. A new low-temperature, monoclinic polymorph of ferrocenium tetrafluoroborate 2 is produced when the known orthorhombic polymorph is cooled from 173 to 120 K. The major features of the transformation include conservative twinning and a modulation of the structure along the crystallographic b direction upon cooling. Redetermination of the structure of the low-temperature polymorph of ferrocenium hexafluorophosphate 3 reveals that the phase change is accompanied by reproducible four-component twinning, providing a proper explanation for the previously reported, very high R-factor of 12.4%. Included tutorial information on the process will assist the reader in obtaining topotactic relationships, as well as in preparing figures and animations describing phase transitions or reactions.
机译：具有可用程序的简单程序可以很容易地用于建立母体和子体相之间的三维关系，其中母体或子体是材料的两个不同相或固态转变中的反应物和产物。唯一的要求是（i）该过程涉及晶体到晶体的转变，并且（ii）必须在不改变母晶取向的情况下进行实验。该方法的应用支持推论的4-氰基吡啶鎓高氯酸盐一水合物1的两种多晶型物的已公布结构中的母相和子相的排列。当已知的正交多晶型物从173至120K。转变的主要特征包括保守孪晶和冷却时沿结晶b方向的结构调节。六氟磷酸三铈铁盐低温多晶型物结构的重新测定表明，相变伴随着可重现的四组分孪晶，为先前报道的12.4％的非常高的R系数提供了正确的解释。所包含的有关该过程的教程信息将帮助读者获得电位关系，并准备描述相变或反应的图形和动画。

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