Journal Article

FZJ-2025-05362

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png A note on the relation of anisotropic peak broadening with lattice symmetry in powder diffraction

Fabrykiewicz, P. (Corresponding author)RWTH*FZJ*

2025
IUCr/Wiley Chester

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Please use a persistent id in citations: doi:10.1107/S2053273325003134  doi:10.34734/FZJ-2025-05362

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.

Keyword(s): Basic research (1st) ; Crystallography (2nd) ; Condensed Matter Physics (2nd) ; Materials Science (2nd)

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Contributing Institute(s):

1. JCNS-FRM-II (JCNS-FRM-II)
2. JARA-FIT (JARA-FIT)
3. Heinz Maier-Leibnitz Zentrum (MLZ)
4. JCNS-4 (JCNS-4)

Research Program(s):

1. 6G4 - Jülich Centre for Neutron Research (JCNS) (FZJ) (POF4-6G4) (POF4-6G4)
2. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)

Experiment(s):

1. No specific instrument

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Ebsco Academic Search ; Essential Science Indicators ; Nationallizenz ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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