Maximum entropy method and charge flipping, a powerful combination to visualize the true nature of structural disorder from in situ X-ray powder diffraction data

Acta Crystallographica Section B: Structural Science

Volumn 66, Issue 2, 2010, Pages 184-195

  Samy, Ali ^a   Dinnebier, Robert E ^a   Van Smaalen, Sander ^b   Jansen, Martin ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b UNIVERSITY OF BAYREUTH   (Germany)

Author keywords

Charge flipping; Disorder; Maximum entropy method; X ray powder diffraction

Indexed keywords

AB INITIO; AMBIENT TEMPERATURES; CARBONATE ANION; CHARGE FLIPPING; DISORDERED CRYSTALS; DISORDERED MATERIALS; ELECTRON DENSITIES; ELECTRON DENSITY DISTRIBUTION; EXPERIMENTAL DATA; FAST METHODS; HISTOGRAM MATCHING; IN-SITU; MAXIMUM ENTROPY METHODS; POWDER DIFFRACTION; REFINED MODEL; RIETVELD; STRUCTURAL DISORDERS; STRUCTURE FACTORS;

ELECTRONS; ENTROPY; GRAPHIC METHODS; RIETVELD METHOD; RIETVELD REFINEMENT; X RAY POWDER DIFFRACTION;

CRYSTAL STRUCTURE;

EID: 77949899040     PISSN: 01087681     EISSN: 01087681     Source Type: Journal    
DOI: 10.1107/S0108768109052616     Document Type: Article

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