Following the guidelines for communicating commensurate magnetic structures: real case examples.

IF 1.3 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Acta crystallographica Section B, Structural science, crystal engineering and materials Pub Date : 2024-08-01 Epub Date: 2024-07-17 DOI:10.1107/S2052520624005407

F Damay

引用次数: 0

Abstract

A few real case examples are presented on how to report magnetic structures, with precise step-by-step explanations, following the guidelines of the IUCr Commission on Magnetic Structures [Perez-Mato et al. (2024). Acta Cryst. B80, 219-234]. Four examples have been chosen, illustrating different types of single-k magnetic orders, from the basic case to more complex ones, including odd-harmonics, and one multi-k order. In addition to acquainting researchers with the process of communicating commensurate magnetic structures, these examples also aim to clarify important concepts, which are used throughout the guidelines, such as the transformation to a standard setting of a magnetic space group.

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遵循沟通相称磁结构的准则：真实案例。

按照国际大学理事会磁结构委员会的指导方针[Perez-Mato 等人 (2024). Acta Cryst. B80, 219-234]，介绍了一些关于如何报告磁结构的真实案例，并附有精确的分步解释。我们选择了四个例子来说明不同类型的单 k 磁序，从基本情况到更复杂的情况，包括奇次谐波和一个多 k 磁序。除了让研究人员熟悉交流相称磁结构的过程外，这些示例还旨在澄清贯穿整个指南的重要概念，如磁性空间群的标准设置转换。

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 B, Structural science, crystal engineering and materials CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

3.60

自引率

5.30%

发文量

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.