Distribution rules of systematic absences on the Conway topograph and their application to powder auto-indexing.

IF 1.8 4区材料科学

Acta Crystallographica Section A Pub Date : 2013-11-01 Epub Date: 2013-10-01 DOI:10.1107/S0108767313021740

R Oishi-Tomiyasu

引用次数: 10

Abstract

This paper presents several general properties of systematic absences that are available before unit-cell parameters and the space group have been determined. The properties are given in the form of distribution rules of Miller indices corresponding to systematic absences on a topograph. A topograph is a graph whose edges are associated with a set of four lattice vectors satisfying Ito's equation 2(|l1(*)|(2) + |l2(*)|(2)) = |l1(*) + l2(*)|(2) + |l1(*) - l2(*)|(2). It is possible to integrate global information about extinct reflections by using topographs. As an example of the application of these rules, a new powder auto-indexing algorithm is introduced, focusing on its theoretical aspects.

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康威地形上系统缺位分布规律及其在粉末自动分度中的应用。

本文给出了在单元胞参数和空间群确定之前，系统不存在的几个一般性质。这些性质以米勒指数对应于地形上系统缺失的分布规则的形式给出。拓扑图是一个图，它的边与满足伊藤方程2(|l1(*)|(2) + |l2(*)|(2)) = |l1(*) + l2(*)|(2) + |l1(*) - l2(*)|(2)的四个晶格向量的集合相关联。利用地形图整合关于消光反射的全球信息是可能的。作为应用这些规则的一个例子，介绍了一种新的粉末自动标引算法，重点介绍了它的理论方面。

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.