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Correction of Beam‐Shadowing Effects Due to Partially Filled Sample Holders in Bragg–Brentano Experiments
Author(s) -
Lührs Hanna,
Birkenstock Johannes,
Fischer Reinhard X.
Publication year - 2014
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201400270
Subject(s) - diffraction , sample (material) , bragg peak , intensity (physics) , beam (structure) , optics , range (aeronautics) , materials science , x ray crystallography , physics , composite material , thermodynamics
In Bragg–Brentano powder X‐ray diffraction, incompletely filled sample holders result in a significant loss of intensity for diffraction peaks at small 2θ angles due to shadowing of the diffracted beam by the sample holder. This has to be considered in crystal structure refinements for samples with diffraction peaks in the low 2θ range when shifts of sample height cannot be avoided. Herein a geometrically derived correction algorithm to account for the intensity loss as a function of shift in sample height is presented. The algorithms were verified based on a series of zeolite A diffraction patterns from samples with deliberately induced, well defined reductions in sample height.