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A Concise Linear Encoding of Crystallographic Space Group Settings and Group-Subgroup Relationships (CLEG)

10 January 2025, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

A concise linear encoding of group settings and group-subgroup relations is described. The simple notation allows for unambiguous generalized machine-coded space group settings and intergroup transformation relationships. A correlation between the notation and Hermann-Mauguin names is provided. Use of Hall notation allows for a fully self-contained description of space group settings and space group relationships. Examples of how the notation has been implemented in Jmol are presented.

Keywords

Crystallography
Space group symmetry
subgroup notation
CLEG

Supplementary weblinks

Title
Description
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Title
CLEG GitHub site
Description
GitHub site for CLEG, containing data files and JSON scripts backing the tables in the paper, as well as PowerPoint/PDF of the presentation introducing CLEG at the American Crystallographic Association 74th Annual Meeting, Denver, Colorado, 9 July 2024
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Version History

Jan 10, 2025 Version 1

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The content is available under CC BY 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv-2025-ptvpt
D O I: 10.26434/chemrxiv-2025-ptvpt [opens in a new tab]

Author’s competing interest statement

The author(s) have declared they have no conflict of interest with regard to this content

Ethics

The author(s) have declared ethics committee/IRB approval is not relevant to this content

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