Quaternion and Biquaternion Representations of Proper and Improper Transformations in Non-Cartesian Reference Systems

Quaternion and biquaternion symmetry transformations have been applied to non-Cartesian reference systems of direct and reciprocal crystal lattices. The transformations performed directly in the sets of crystal reference axes simplify the calculations, eliminate the need for orthogonalization, permit the use of crystallographic vectors for defining the directions of rotations and perform the computations directly in the crystal coordinates. The applications of the general quaternion transformations are envisioned for physical, chemical, crystallographic and engineering applications. The general quaternion multiplication rules for any symmetry-unrestricted lattices have been derived for the triclinic crystallographic system and have been applied to the biquaternion representations of all point-group symmetry elements, including the crystallographic hexagonal system. Cayley multiplication matrices for point-groups, based on the biquaternion symbols of proper and improper symmetry elements, have been exemplified.

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Publication Details

Journal
Symmetry
Published
2024-10-14
DOI
https://doi.org/10.3390/sym16101366
Primary Topic
X-ray Diffraction in Crystallography
Type
article
Field-Weighted Citation Impact
0.00

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article

Quaternion and Biquaternion Representations of Proper and Improper Transformations in Non-Cartesian Reference Systems

Hien Quy Le, Andrzej Katrusiak
Symmetry
X-ray Diffraction in Crystallography
article

Quaternion and Biquaternion Representations of Proper and Improper Transformations in Non-Cartesian Reference Systems

Hien Quy Le, Andrzej Katrusiak
article en

Abstract

Quaternion and biquaternion symmetry transformations have been applied to non-Cartesian reference systems of direct and reciprocal crystal lattices. The transformations performed directly in the sets of crystal reference axes simplify the calculations, eliminate the need for orthogonalization, permit the use of crystallographic vectors for defining the directions of rotations and perform the computations directly in the crystal coordinates. The applications of the general quaternion transformations are envisioned for physical, chemical, crystallographic and engineering applications. The general quaternion multiplication rules for any symmetry-unrestricted lattices have been derived for the triclinic crystallographic system and have been applied to the biquaternion representations of all point-group symmetry elements, including the crystallographic hexagonal system. Cayley multiplication matrices for point-groups, based on the biquaternion symbols of proper and improper symmetry elements, have been exemplified.

SymmetryVol. 16(10)
Paul Scherrer Institute (CH), École Polytechnique Fédérale de Lausanne (CH), Adam Mickiewicz University in Poznań (PL)
European Education and Culture Executive Agency, Education, Audiovisual and Culture Executive Agency
Sustainable cities and communities
Openalex Percentile: Top 89%
X-ray Diffraction in Crystallography
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Quaternion and Biquaternion Representations of Proper and Improper Transformations in Non-Cartesian Reference Systems — Hien Quy Le, Andrzej Katrusiak · Symmetry (2024) | TGRS Research Map | TGRS