无序构造硅酸盐中Si/Al分布规律的建模——基于GIS框架型的沸石应用。

IF 1.8 4区 材料科学 Q3 CHEMISTRY, MULTIDISCIPLINARY
Montauban Moreira de Oliveira, Jean Guillaume Eon
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引用次数: 0

摘要

作为先前工作的延伸,我们分析了几种构造硅酸盐中有序和无序的Si/Al分布。该方法基于对网络标记商图中最大独立集之间相互关系的分析。分析表明存在特定的无序亚结构,称为肺泡,与完全有序的部分共存,在亚微观领域定义部分有序。该方法首先以bikitaite、chahabazite和alcime为例,并充分发展为具有GIS框架类型的天然沸石。我们证明了应用于网络gis标记商图的最大独立性原理可以用来证明两个有序相吉斯蒙丁和阿米石以及无序相加罗石和戈氏石的组成和有序/无序。在这个天然沸石列表中,我们添加了无序的合成Na-P2相。研究结果与已发表的双矽辉石、茶巴石和安钙石的29Si魔角自旋核磁共振数据吻合较好。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Modelling regularity of Si/Al distributions in disordered tectosilicates - application to zeolites with the GIS framework type.

As an extension of a previous work, we analyse ordered and disordered Si/Al distributions in a few tectosilicates. The method is based on an analysis of the inter-relations between maximal independent sets in a labelled quotient graph of the net. The analysis suggests the presence of specific disordered substructures, called here alveoli, coexisting with fully ordered parts, defining partial order in submicroscopic domains. The method is first illustrated with bikitaite, chabazite and analcime and fully developed for natural zeolites with the GIS framework type. We show that the principle of maximal independence applied to the labelled quotient graph of the net gis can be used to justify composition and order/disorder of the two ordered phases gismondine and amicite and of the disordered phases garronite and gobbinsite. To this list of natural zeolites, we add the disordered, synthetic Na-P2 phase. The results are in good agreement with published 29Si magic-angle spinning NMR data for bikitaite, chabazite and analcime.

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来源期刊
Acta Crystallographica Section A: Foundations and Advances
Acta Crystallographica Section A: Foundations and Advances CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY
CiteScore
2.60
自引率
11.10%
发文量
419
期刊介绍: Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials. The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial. The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.
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