A note on the relation of anisotropic peak broadening with lattice symmetry in powder diffraction

A bridge is established between the Gregorkiewitz & Boschetti [Acta Cryst. (2024), A80, 439-445] and Stephens [J. Appl. Cryst. (1999), 32, 281-289] formalisms of anisotropic peak broadening in powder diffraction. The paper by Gregorkiewitz & Boschetti presented formulas describing position shifts of low-symmetry peaks due to different lattice relaxation schemes. Anisotropic peak broadening caused by lattice relaxation can be parameterized by the variance of slightly dispersed peaks' positions. The calculated variances are compared with formulas from the widely used phenomenological model of anisotropic peak broadening by Stephens. Specific relations between anisotropic peak broadening parameters can be a hint of a possible unresolved peak splitting due to lattice symmetry lowering.

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Publication Details

Journal
Acta Crystallographica Section A Foundations and Advances
Published
2025-04-24
DOI
https://doi.org/10.1107/s2053273325003134
Citations
1
Primary Topic
X-ray Diffraction in Crystallography
Type
article
Field-Weighted Citation Impact
0.52

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article

A note on the relation of anisotropic peak broadening with lattice symmetry in powder diffraction

Piotr Fabrykiewicz
1 citations
Acta Crystallographica Section A Foundations and Advances
X-ray Diffraction in Crystallography
0.52
article

A note on the relation of anisotropic peak broadening with lattice symmetry in powder diffraction

Piotr Fabrykiewicz
article en
1 citations

Abstract

A bridge is established between the Gregorkiewitz & Boschetti [Acta Cryst. (2024), A80, 439-445] and Stephens [J. Appl. Cryst. (1999), 32, 281-289] formalisms of anisotropic peak broadening in powder diffraction. The paper by Gregorkiewitz & Boschetti presented formulas describing position shifts of low-symmetry peaks due to different lattice relaxation schemes. Anisotropic peak broadening caused by lattice relaxation can be parameterized by the variance of slightly dispersed peaks' positions. The calculated variances are compared with formulas from the widely used phenomenological model of anisotropic peak broadening by Stephens. Specific relations between anisotropic peak broadening parameters can be a hint of a possible unresolved peak splitting due to lattice symmetry lowering.

Acta Crystallographica Section A Foundations and AdvancesVol. 81(3)
RWTH Aachen University (DE)
Uniwersytet Warszawski, RWTH Aachen University
Openalex Percentile: Top 40%
X-ray Diffraction in Crystallography
0.52
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