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Modelling and quantification of intergrowth in γ‐MnO 2 by laboratory pair distribution function analysis
Author(s) -
Galliez Kevin,
Deniard Philippe,
Petit PierreEmmanuel,
Lambertin David,
Bart Florence,
Jobic Stéphane
Publication year - 2014
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576714000375
Subject(s) - pair distribution function , diffraction , materials science , distribution function , anode , function (biology) , distribution (mathematics) , powder diffraction , crystallography , chemistry , mineralogy , physics , thermodynamics , mathematics , optics , electrode , mathematical analysis , evolutionary biology , biology , quantum mechanics
γ‐MnO 2 is a material formed by random intergrowth of two phases, β‐MnO 2 and R ‐MnO 2 . It is demonstrated here on seven γ‐MnO 2 samples that pair distribution function analysis using a conventional X‐ray diffraction setup (Bragg–Brentano geometry with a molybdenum anode) allows the quantification of this intergrowth simply via a simulation of the actual material by a mixture of β‐MnO 2 and R ‐MnO 2 phases. Although this method does not take into account specifically the relaxed distances in the vicinity of the intergrowth zone, it is found to be very robust, accurate and in full agreement with the widely used quantification based on the empirical approach of Chabre & Pannetier [ Prog. Solid State Chem. (1995), 23 , 1–130].