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Meta-analytical approaches in neuroimaging: state of the art, best practices and future directions
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Engineering of metabolic pathways in Pseudomonas towards the biotechnological upcycling of polyamides and polyesters
No full textCell surface engineering of Pseudomonas taiwanensis to optimize cell-solvent interactions in biphasic cultures
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CFD-Based Mesoscale Simulation of Triple Phase Boundary Effects on Solid Oxide Cells Performance
No full textImportant aspects for the measurement of ultra-fine particles in the framework of the new EU Ambient Air Quality Directive
No full textThe relation of anisotropic peak broadening with lattice symmetry in powder diffraction
No full textLattice relaxation, i.e. small lattice symmetry lowering, could lead to unresolved peak splitting in powder diffraction, which results in anisotropic, i.e. -dependent, peak broadening. Recently Gregorkiewitz & Boschetti [1] derived formulas for (with being an interplanar distance) for each split peak component in the six minimal relaxation schemes. Anisotropic peak broadening caused by lattice relaxation can be parameterized by the variance of those slightly dispersed peaks’ positions [2]. For all relaxation schemes the variances are expressed as fourth-order polynomials in , , indices [2]:,with . Popa [3] provided symmetry restrictions for each Laue class for coefficients. Stephens’ phenomenological model of anisotropic peak broadening [4] assumes that each crystallite in a powder sample is generally triclinic and that only the average lattice constants over the entire sample satisfy the restrictions of a given lattice symmetry. Consequently, peak broadening can also be expressed as fourth-order polynomials in , , . However, anisotropic peak broadening caused by the lattice relaxation gives more constraints [2] between the coefficients as compared with those listed in [3, 4]. The seminal papers by Popa [3] and Stephens [4] and the recent paper by Gregorkiewitz & Boschetti [1] are connected by expressing the parameters in terms of lattice parameter increments [2].References:[1] M. Gregorkiewitz & A. Boschetti, (2024) 439;[2] P. Fabrykiewicz, (2025) 245;[3] N. C. Popa, (1998) 176;[4] P. W. Stephens, (1999) 281.Acknowledgements:Thanks are due to Martin Meven (RWTH Aachen University and Forschungszentrum Jülich GmbH), Radosław Przeniosło and Izabela Sosnowska (University of Warsaw) for inspiring discussions
