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Lattice parameters determination from powder diffraction data: Results from a round robin project

Published online by Cambridge University Press:  10 January 2013

Norberto Masciocchi
Affiliation:
Dipartimento di Chimica Strutturale e Stereochimica Inorganica, Università di Milano, via Venezian 21, 20133 Milano, Italy
Gilberto Artioli
Affiliation:
Dipartimento di Chimica Strutturale e Stereochimica Inorganica, Università di Milano, via Venezian 21, 20133 Milano, Italy

Abstract

A well-crystallized sample of powdered KCl has been distributed among several laboratories in order to test the reproducibility of the lattice parameter measurement on different X-ray powder diffraction instruments. The precision of the determined unit-cell dimension is in the 10−5 Å range, while the discrepancies among the results from different laboratories using the same numerical analysis are at least one order of magnitude higher. It is shown that if different numerical analyses, including full pattern refinement, are used, values differing in the third decimal digit are obtained for the same data set.

Type
Research Article
Copyright
Copyright © Cambridge University Press 1996

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