Nets with collisions (unstable nets) and crystal chemistry.

IF 1.8 4区材料科学

Acta Crystallographica Section A Pub Date : 2013-11-01 Epub Date: 2013-09-12 DOI:10.1107/S0108767313020655

Olaf Delgado-Friedrichs, Stephen T Hyde, Shin Won Mun, Michael O'Keeffe, Davide M Proserpio

引用次数: 16

Abstract

Nets in which different vertices have identical barycentric coordinates (i.e. have collisions) are called unstable. Some such nets have automorphisms that do not correspond to crystallographic symmetries and are called non-crystallographic. Examples are given of nets taken from real crystal structures which have embeddings with crystallographic symmetry in which colliding nodes either are, or are not, topological neighbors (linked) and in which some links coincide. An example is also given of a crystallographic net of exceptional girth (16), which has collisions in barycentric coordinates but which also has embeddings without collisions with the same symmetry. In this last case the collisions are termed unforced.

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有碰撞的网(不稳定网)和晶体化学。

不同顶点具有相同质心坐标(即有碰撞)的网称为不稳定网。一些这样的网具有不对应于晶体对称的自同构，被称为非晶体对称。给出了取自实际晶体结构的网的例子，这些网具有晶体学对称的嵌入，其中碰撞节点要么是拓扑邻居，要么不是拓扑邻居(链接)，其中一些链接是重合的。还给出了一个特殊周长的晶体网(16)的例子，它在质心坐标中有碰撞，但也有相同对称性的无碰撞嵌入。在后一种情况下，碰撞称为非受迫。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section A 化学-晶体学

自引率

11.10%

发文量

审稿时长

3 months

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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