Structural investigation of α- And β-sodium hexafluoroarsenate, NaAsF 6, by variable temperature x-ray powder diffraction and multinuclear solid-State NMR, and DFT Calculations

Journal of Physical Chemistry C

Volumn 116, Issue 21, 2012, Pages 11682-11693

  Biswal, Mamata ^a   Body, Monique ^a   Legein, Christophe ^a   Corbel, Gwenaël ^a   Sadoc, Aymeric ^b   Boucher, Florent ^b  

^a UNIVERSITÉ DU MAINE   (France)

^b UNIVERSITÉ DE NANTES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPIC DISPLACEMENT PARAMETERS; CELL PARAMETER; CHEMICAL SHIELDING TENSORS; CRYSTALLINE STRUCTURE; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; ELECTRIC FIELD GRADIENT TENSORS; FULL OPTIMIZATION; GAUGE INCLUDING PROJECTOR AUGMENTED WAVES; HEXAFLUOROARSENATE; J COUPLING; LINEAR CORRELATION; RESCALING; SOLID STATE NMR; STRUCTURAL INVESTIGATION; STRUCTURAL TYPE; VARIABLE TEMPERATURE;

CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; DIFFRACTION; ELECTRIC FIELDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SODIUM; SOLID STATE PHYSICS; TENSORS; X RAY POWDER DIFFRACTION;

FLUORINE;

EID: 84861838338     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3040727     Document Type: Article

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