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

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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(|l 1 *|2 + |l 2 *|2) = |l 1 * + l 2 *|2 + |l 1 *-l 2 *|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.

Original languageEnglish
Pages (from-to)603-610
Number of pages8
JournalActa Crystallographica Section A: Foundations of Crystallography
Volume69
Issue number6
DOIs
Publication statusPublished - Nov 1 2013
Externally publishedYes

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All Science Journal Classification (ASJC) codes

  • Structural Biology

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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(|l 1 *|2 + |l 2 *|2) = |l 1 * + l 2 *|2 + |l 1 *-l 2 *|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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