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Rietveld analysis of powder neutron diffraction data displaying anisotropic crystallite size broadening
Author(s) -
Greaves C.
Publication year - 1985
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/s0021889885009761
Subject(s) - crystallite , rietveld refinement , neutron diffraction , anisotropy , materials science , diffraction , powder diffraction , analytical chemistry (journal) , crystallography , neutron , chemistry , optics , crystal structure , physics , nuclear physics , chromatography
In order to accommodate anisotropic crystallite‐size broadening effects in the Rietveld refinement of constant‐wavelength powder neutron diffraction data, a modified function for the peak full width at half maximum has been evaluated for polycrystalline Ni(OD) 2 . The function resulted in significantly better agreement between observed and calculated profiles (the weighted residual R w.p decreased from 14.1 to 8.5%), and structural standard deviations were reduced by an average of 43%.