Modelling the silica glass structure by the Rietveld method
作者： A. Le Bail
DOI: 10.1016/0022-3093(94)00664-4
关键词: Amorphous solid 、 Atomic coordinates 、 Chemistry 、 Silica glass 、 Neutron 、 Tetrahedron 、 Thermodynamics 、 Diffraction 、 Crystallography 、 Structure (category theory) 、 Rietveld refinement
摘要: Abstract To refine amorphous structures like crystalline ones is impossible. This statement needs now some reconsideration in the case of silica glass. Starting with a microstrained model deriving from α-carnegieite structure, atomic coordinates refinements by Rietveld method prove to be possible. The credibility study supported simultaneous fit neutron and X-ray diffraction data. agreement R χ factors are best ever obtained small-size built exclusively [SiO 4 ] tetrahedra linked corners. However it concluded that ‘best’ remains insufficient.
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