Quantum mechanical study of Al/Si disorder in leucite and bicchulite

Mineralogical Magazine

Volumn 68, Issue 5, 2004, Pages 819-824

  Winkler, B ^a   Milman, V ^b   Pickard, C J ^c  

^a GOETHE UNIVERSITY   (Germany)

^b Accelrys Limited UK   (United Kingdom)

^c UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Al Si disorder; DFT; Virtual crystal approximation

Indexed keywords

CRYSTALS; HYDROGEN; NEUTRONS; ORDER DISORDER TRANSITIONS; PHASE TRANSITIONS; POWDERS; SILICATES; SILICON; X RAY DIFFRACTION;

NEUTRON POWDER DIFFRACTION; QUANTUM MECHANICAL VERSION; VIRTUAL CRYSTALS APPROXIMATION;

ALUMINUM;

BICCHULITE; CRYSTAL STRUCTURE; LATTICE DYNAMICS; LEUCITE; MINERALOGY;

EID: 11144281985     PISSN: 0026461X     EISSN: None     Source Type: Journal    
DOI: 10.1180/0026461046850222     Document Type: Article

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